 Entering Gaussian System, Link 0=g16
 Input=36c_RhEn3-lelob2_STD_M11-def2SVPDr.in
 Output=36c_RhEn3-lelob2_STD_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/36c_RhEn3-lelob2_STD/Gau-25941.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_def2SVPD/36c_RhEn3-lelob2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     25942.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                23-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36c_RhEn3-lelob2_STD_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 23 17:30:04 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36c_RhEn3-lelob2_STD_M11-def2SVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.882333000000      0.078868000000     -0.751096000000
  C                                                -2.883637000000     -0.089617000000      0.748561000000
  N                                                -1.604578000000     -0.773888000000      1.152492000000
  Rh                                                0.000181000000      0.000116000000      0.000562000000
  N                                                 1.496894000000      0.977942000000     -1.143379000000
  C                                                 2.016113000000      2.164980000000     -0.376616000000
  C                                                 0.851421000000      2.839270000000      0.306893000000
  N                                                 0.108865000000      1.805044000000      1.109170000000
  N                                                -1.605762000000      0.769395000000     -1.151895000000
  N                                                 1.498354000000     -0.974746000000      1.144883000000
  C                                                 2.023540000000     -2.157905000000      0.376178000000
  C                                                 0.862316000000     -2.836237000000     -0.309308000000
  N                                                 0.114723000000     -1.803750000000     -1.109148000000
  H                                                 2.746689000000      1.805009000000      0.348651000000
  H                                                 2.534073000000      2.852953000000     -1.045694000000
  H                                                 0.159478000000      3.264331000000     -0.421261000000
  H                                                 1.187267000000      3.652750000000      0.950911000000
  H                                                 0.172399000000     -3.266690000000      0.417566000000
  H                                                 1.202417000000     -3.646338000000     -0.955343000000
  H                                                 2.752960000000     -1.793209000000     -0.347870000000
  H                                                 2.544317000000     -2.844721000000      1.044258000000
  H                                                 2.285191000000     -0.385753000000      1.415804000000
  H                                                 1.112276000000     -1.308266000000      2.028366000000
  H                                                -0.783947000000     -2.191995000000     -1.394149000000
  H                                                 0.611614000000     -1.648380000000     -1.986518000000
  H                                                -1.721936000000      1.772878000000     -1.012515000000
  H                                                -1.479542000000      0.662744000000     -2.158404000000
  H                                                -0.791007000000      2.190068000000      1.394742000000
  H                                                 0.607425000000      1.652565000000      1.986087000000
  H                                                 2.286557000000      0.391334000000     -1.411120000000
  H                                                 1.111518000000      1.307831000000     -2.028554000000
  H                                                -2.916638000000     -0.885119000000     -1.259574000000
  H                                                -3.746888000000      0.653215000000     -1.085607000000
  H                                                -3.746060000000     -0.668259000000      1.081160000000
  H                                                -2.923915000000      0.874214000000      1.256925000000
  H                                                -1.480078000000     -0.664291000000      2.158900000000
  H                                                -1.716296000000     -1.778222000000      1.015422000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 23 17:30:04 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078868   -0.751096
      2          6           0       -2.883637   -0.089617    0.748561
      3          7           0       -1.604578   -0.773888    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496894    0.977942   -1.143379
      6          6           0        2.016113    2.164980   -0.376616
      7          6           0        0.851421    2.839270    0.306893
      8          7           0        0.108865    1.805044    1.109170
      9          7           0       -1.605762    0.769395   -1.151895
     10          7           0        1.498354   -0.974746    1.144883
     11          6           0        2.023540   -2.157905    0.376178
     12          6           0        0.862316   -2.836237   -0.309308
     13          7           0        0.114723   -1.803750   -1.109148
     14          1           0        2.746689    1.805009    0.348651
     15          1           0        2.534073    2.852953   -1.045694
     16          1           0        0.159478    3.264331   -0.421261
     17          1           0        1.187267    3.652750    0.950911
     18          1           0        0.172399   -3.266690    0.417566
     19          1           0        1.202417   -3.646338   -0.955343
     20          1           0        2.752960   -1.793209   -0.347870
     21          1           0        2.544317   -2.844721    1.044258
     22          1           0        2.285191   -0.385753    1.415804
     23          1           0        1.112276   -1.308266    2.028366
     24          1           0       -0.783947   -2.191995   -1.394149
     25          1           0        0.611614   -1.648380   -1.986518
     26          1           0       -1.721936    1.772878   -1.012515
     27          1           0       -1.479542    0.662744   -2.158404
     28          1           0       -0.791007    2.190068    1.394742
     29          1           0        0.607425    1.652565    1.986087
     30          1           0        2.286557    0.391334   -1.411120
     31          1           0        1.111518    1.307831   -2.028554
     32          1           0       -2.916638   -0.885119   -1.259574
     33          1           0       -3.746888    0.653215   -1.085607
     34          1           0       -3.746060   -0.668259    1.081160
     35          1           0       -2.923915    0.874214    1.256925
     36          1           0       -1.480078   -0.664291    2.158900
     37          1           0       -1.716296   -1.778222    1.015422
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509092   0.000000
     3  N    2.446119   1.505782   0.000000
     4  Rh   2.979946   2.980597   2.121621   0.000000
     5  N    4.487744   4.889598   4.237813   2.122474   0.000000
     6  C    5.337309   5.509699   4.907598   2.982093   1.505514
     7  C    4.762361   4.766981   4.449930   2.979806   2.446317
     8  N    3.922695   3.560175   3.096555   2.120988   2.772129
     9  N    1.505690   2.445935   2.773432   2.121085   3.109669
    10  N    4.888278   4.488025   3.109435   2.122345   3.008178
    11  C    5.508311   5.338246   3.959976   2.981966   3.524194
    12  C    4.766069   4.763945   3.532097   2.980637   3.955544
    13  N    3.557358   3.921670   3.021858   2.120969   3.106345
    14  H    5.989566   5.953999   5.121562   3.304862   2.114753
    15  H    6.092601   6.421032   5.925743   3.956506   2.144982
    16  H    4.416852   4.677392   4.679295   3.295210   2.745489
    17  H    5.677244   5.533400   5.237381   3.956523   3.411234
    18  H    4.678666   4.420713   3.148305   3.297813   4.712509
    19  H    5.532094   5.678855   4.535764   3.956735   4.637460
    20  H    5.951789   5.989625   4.719983   3.303818   3.144808
    21  H    6.420218   6.094319   4.638253   3.956643   4.527207
    22  H    5.622689   5.220124   3.917944   2.715341   3.005078
    23  H    5.060282   4.369248   2.904137   2.657180   3.928695
    24  H    3.158094   3.663318   3.028175   2.713932   3.913262
    25  H    4.088682   4.703954   3.940765   2.653277   2.896924
    26  H    2.069911   2.814218   3.344704   2.671085   3.318119
    27  H    2.071050   3.314812   3.611312   2.699961   3.160506
    28  H    3.665437   3.161268   3.083118   2.713965   3.625714
    29  H    4.706071   4.093187   3.387553   2.653609   3.322624
    30  H    5.220219   5.623739   4.803205   2.715403   1.019491
    31  H    4.369565   5.062262   4.672236   2.657536   1.020233
    32  H    1.090412   2.160213   2.748079   3.298396   4.792052
    33  H    1.090517   2.158975   3.411041   3.955607   5.254145
    34  H    2.159024   1.090515   2.145272   3.955849   5.928500
    35  H    2.160197   1.090425   2.113716   3.300429   5.031478
    36  H    3.314616   2.071059   1.019985   2.700190   4.739656
    37  H    2.815850   2.070093   1.019782   2.671838   4.751995
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509423   0.000000
     8  N    2.444322   1.504879   0.000000
     9  N    3.958117   3.528483   3.020750   0.000000
    10  N    3.527168   3.958215   3.107923   4.237069   0.000000
    11  C    4.387948   5.133266   4.461863   4.906722   1.505521
    12  C    5.133025   5.708870   4.911340   4.449938   2.446296
    13  N    4.461245   4.909738   4.236079   3.095637   2.771703
    14  H    1.090565   2.159509   2.745269   4.718894   3.149502
    15  H    1.090530   2.158934   3.409279   4.635809   4.530190
    16  H    2.158161   1.090720   2.115254   3.142388   4.713297
    17  H    2.159346   1.090551   2.145231   4.531726   4.641995
    18  H    5.790772   6.144597   5.119066   4.681351   2.745934
    19  H    5.896477   6.616612   5.930905   5.236717   3.411148
    20  H    4.026292   5.050191   4.696981   5.119751   2.114765
    21  H    5.234022   5.976400   5.249377   5.925207   2.144987
    22  H    3.129123   3.699480   3.103226   4.802808   1.019521
    23  H    4.320220   4.498174   3.397713   4.671024   1.020213
    24  H    5.278157   5.557122   4.800004   3.082839   3.624538
    25  H    4.371054   5.045418   4.664995   3.385113   3.323517
    26  H    3.811971   3.082239   2.802573   1.019756   4.751218
    27  H    4.201319   4.030923   3.808533   1.019983   4.739298
    28  H    3.319377   2.074234   1.019590   3.027788   3.914033
    29  H    2.798095   2.070627   1.020194   3.940193   2.898990
    30  H    2.071028   3.317164   3.618395   3.919219   3.003430
    31  H    2.069274   2.804865   3.331343   2.905521   3.928168
    32  H    5.866409   5.524777   4.690586   2.113624   5.028081
    33  H    6.000024   5.278479   4.583731   2.145300   5.927724
    34  H    6.584451   5.834302   4.580225   3.410903   5.253748
    35  H    5.360822   4.360868   3.175851   2.747895   4.794546
    36  H    5.163039   4.597908   3.118379   3.610071   3.161593
    37  H    5.605131   5.330705   4.022412   3.346615   3.316068
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509459   0.000000
    13  N    2.444423   1.504882   0.000000
    14  H    4.028448   5.052221   4.698464   0.000000
    15  H    5.233647   5.975276   5.248063   1.757154   0.000000
    16  H    5.788893   6.141941   5.114747   3.068558   2.489548
    17  H    5.898592   6.618210   5.930226   2.491718   2.537714
    18  H    2.158203   1.090698   2.115272   5.688044   6.720764
    19  H    2.159311   1.090547   2.145196   5.813980   6.634927
    20  H    1.090551   2.159613   2.745897   3.665018   4.703370
    21  H    1.090530   2.159014   3.409356   4.705828   6.068896
    22  H    2.071185   3.317447   3.618982   2.480168   4.075553
    23  H    2.069303   2.803907   3.329356   3.896823   5.365361
    24  H    3.319217   2.074153   1.019592   5.610596   6.048320
    25  H    2.799193   2.070480   1.020205   4.683744   4.984275
    26  H    5.604294   5.330741   4.021806   4.671447   4.391045
    27  H    5.162533   4.598513   3.118687   5.044911   4.705767
    28  H    5.278638   5.558867   4.800041   3.709160   4.177475
    29  H    4.372284   5.048084   4.665763   2.698312   3.787427
    30  H    3.124457   3.695899   3.102651   2.303691   2.500874
    31  H    4.315767   4.493463   3.394237   2.927810   2.318853
    32  H    5.357334   4.357793   3.171066   6.472747   6.612804
    33  H    6.583088   5.832982   4.577037   6.749094   6.655142
    34  H    6.000361   5.279267   4.581750   6.986373   7.507497
    35  H    5.869137   5.527755   4.690748   5.817825   6.245566
    36  H    4.205273   4.036856   3.810760   5.219196   6.225258
    37  H    3.813026   3.086024   2.804832   5.762149   6.615256
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757861   0.000000
    18  H    6.584682   7.013777   0.000000
    19  H    7.009302   7.543919   1.757825   0.000000
    20  H    5.684210   5.813493   3.068605   2.491444   0.000000
    21  H    6.719801   6.638330   2.489336   2.538048   1.757051
    22  H    4.606146   4.210828   3.709470   4.174464   2.304406
    23  H    5.274196   5.077225   2.704343   3.791731   2.928056
    24  H    5.622104   6.598942   2.313413   2.500661   3.709911
    25  H    5.175827   6.087844   2.931119   2.324695   2.700279
    26  H    2.472596   3.981510   5.570537   6.158166   5.760506
    27  H    3.531615   5.071474   4.980460   5.216172   5.217644
    28  H    2.314159   2.499999   5.626654   6.600021   5.609179
    29  H    2.931513   2.325628   5.181561   6.089696   4.682311
    30  H    3.709231   4.174262   4.603791   4.205459   2.473916
    31  H    2.705118   3.792307   5.271782   5.069895   3.890434
    32  H    5.232895   6.505424   4.245801   4.968249   5.813792
    33  H    4.745416   6.122949   5.743344   6.557343   6.984073
    34  H    5.742452   6.559405   4.748318   6.124028   6.748696
    35  H    4.246914   4.971491   5.238203   6.508159   6.474367
    36  H    4.977896   5.216398   3.540537   5.078080   5.047471
    37  H    5.568656   6.158758   2.477930   3.986560   4.672584
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.500343   0.000000
    23  H    2.319462   1.613069   0.000000
    24  H    4.177226   4.536293   4.011265   0.000000
    25  H    3.788427   3.996359   4.060250   1.610593   0.000000
    26  H    6.614639   5.158826   5.174279   4.092149   4.254309
    27  H    6.225014   5.295991   5.303908   3.036029   3.121502
    28  H    6.049490   4.012268   4.032655   5.194270   5.304144
    29  H    4.986399   2.700900   3.003861   5.304956   5.165060
    30  H    4.070304   2.931785   4.012186   4.012714   2.701287
    31  H    5.360856   4.013644   4.827273   4.030389   2.998475
    32  H    6.242572   5.870778   5.217447   2.504876   3.682333
    33  H    7.506740   6.612298   6.095548   4.119398   5.010541
    34  H    6.656365   6.047130   4.991016   4.150065   5.418543
    35  H    6.616439   5.361674   4.652868   4.583590   5.420643
    36  H    4.710887   3.847990   2.674330   3.929712   4.746377
    37  H    4.392161   4.255722   3.041009   2.616585   3.801009
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613758   0.000000
    28  H    2.614491   3.928313   0.000000
    29  H    3.798949   4.744679   1.610655   0.000000
    30  H    4.258587   3.849104   4.536486   3.993896   0.000000
    31  H    3.045828   2.673311   4.014586   4.060824   1.613043
    32  H    2.924602   2.295435   4.584809   5.421547   5.359621
    33  H    2.315042   2.508354   4.153466   5.421628   6.047892
    34  H    3.799961   4.171744   4.123191   5.015770   6.612614
    35  H    2.720792   3.714217   2.509933   3.688885   5.873726
    36  H    4.007014   4.516651   3.034159   3.123356   5.295935
    37  H    4.089361   4.010927   4.092355   4.255839   5.159255
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.650419   0.000000
    33  H    4.992172   1.756716   0.000000
    34  H    6.096828   2.492791   2.537947   0.000000
    35  H    5.221792   3.070517   2.492706   1.756712   0.000000
    36  H    5.304753   3.714624   4.171460   2.509226   2.294607
    37  H    5.175524   2.722877   3.801251   2.314364   2.924395
                   36         37
    36  H    0.000000
    37  H    1.613748   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.02D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078865   -0.751096
      2          6           0       -2.883637   -0.089620    0.748561
      3          7           0       -1.604577   -0.773890    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496893    0.977944   -1.143379
      6          6           0        2.016110    2.164982   -0.376616
      7          6           0        0.851418    2.839271    0.306893
      8          7           0        0.108863    1.805044    1.109170
      9          7           0       -1.605763    0.769393   -1.151895
     10          7           0        1.498355   -0.974744    1.144883
     11          6           0        2.023542   -2.157903    0.376178
     12          6           0        0.862319   -2.836236   -0.309308
     13          7           0        0.114725   -1.803750   -1.109148
     14          1           0        2.746687    1.805012    0.348651
     15          1           0        2.534070    2.852956   -1.045694
     16          1           0        0.159474    3.264331   -0.421261
     17          1           0        1.187263    3.652751    0.950911
     18          1           0        0.172403   -3.266690    0.417566
     19          1           0        1.202421   -3.646337   -0.955343
     20          1           0        2.752962   -1.793206   -0.347870
     21          1           0        2.544320   -2.844718    1.044258
     22          1           0        2.285191   -0.385750    1.415804
     23          1           0        1.112277   -1.308265    2.028366
     24          1           0       -0.783944   -2.191996   -1.394149
     25          1           0        0.611616   -1.648379   -1.986518
     26          1           0       -1.721938    1.772876   -1.012515
     27          1           0       -1.479543    0.662742   -2.158404
     28          1           0       -0.791010    2.190067    1.394742
     29          1           0        0.607423    1.652566    1.986087
     30          1           0        2.286556    0.391337   -1.411120
     31          1           0        1.111516    1.307832   -2.028554
     32          1           0       -2.916637   -0.885122   -1.259574
     33          1           0       -3.746889    0.653211   -1.085607
     34          1           0       -3.746059   -0.668263    1.081160
     35          1           0       -2.923916    0.874211    1.256925
     36          1           0       -1.480077   -0.664293    2.158900
     37          1           0       -1.716294   -1.778224    1.015422
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7085492           0.6964051           0.4626614
 Leave Link  202 at Fri Jul 23 17:30:05 2021, MaxMem= 10737418240 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     12
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     13
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 3 1.00
     Exponent=  7.9177440000D+00 Coefficients=  1.4014042010D+00
     Exponent=  6.8412070000D+00 Coefficients= -1.7975072656D+00
     Exponent=  2.9598400000D+00 Coefficients= -1.6225754497D-01
 S 1 1.00
     Exponent=  1.3166643441D+00 Coefficients=  8.7495110714D-01
 S 1 1.00
     Exponent=  5.6907152172D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0059695193D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7071460798D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.1360790000D+00 Coefficients= -5.5183328018D-01
     Exponent=  2.9462810000D+00 Coefficients=  6.1370533515D-01
     Exponent=  1.0792431924D+00 Coefficients=  6.4005434538D-01
     Exponent=  4.6611217769D-01 Coefficients=  2.5958050755D-01
 P 1 1.00
     Exponent=  1.7453169991D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.4600000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.1000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  6.8847131641D+00 Coefficients= -1.5962387985D-02
     Exponent=  2.3837304391D+00 Coefficients=  2.3047555829D-01
     Exponent=  1.0184384022D+00 Coefficients=  4.4075804028D-01
     Exponent=  3.9957494644D-01 Coefficients=  3.9567661996D-01
 D 1 1.00
     Exponent=  1.3951120264D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   495 symmetry adapted cartesian basis functions of A   symmetry.
 There are   466 symmetry adapted basis functions of A   symmetry.
   466 basis functions,   692 primitive gaussians,   495 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.3219182307 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 23 17:30:06 2021, MaxMem= 10737418240 cpu:              21.5 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20718 LenP2D=   45903.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   466 RedAO= T EigKep=  1.01D-05  NBF=   466
 NBsUse=   466 1.00D-06 EigRej= -1.00D+00 NBFU=   466
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   495   495   495   495   495 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul 23 17:30:08 2021, MaxMem= 10737418240 cpu:              20.4 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 23 17:30:08 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36c_RhEn3-lelob2_STD_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 23 17:30:10 2021, MaxMem= 10737418240 cpu:              16.4 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736915163 LenY= 10736669643
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.386805610131    
 DIIS: error= 8.21D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.386805610131     IErMin= 1 ErrMin= 8.21D-03
 ErrMax= 8.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-02 BMatP= 2.89D-02
 IDIUse=3 WtCom= 9.18D-01 WtEn= 8.21D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.448 Goal=   None    Shift=    0.000
 GapD=    0.448 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.48D-03 MaxDP=1.14D+00              OVMax= 2.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.12D-03    CP:  1.24D+00
 E= -680.414754274794     Delta-E=       -0.027948664663 Rises=F Damp=F
 DIIS: error= 8.84D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.414754274794     IErMin= 2 ErrMin= 8.84D-04
 ErrMax= 8.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-03 BMatP= 2.89D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.84D-03
 Coeff-Com: -0.366D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.363D-01 0.104D+01
 Gap=     0.443 Goal=   None    Shift=    0.000
 RMSDP=1.73D-03 MaxDP=2.31D-01 DE=-2.79D-02 OVMax= 1.15D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.41D-04    CP:  1.30D+00  1.15D+00
 E= -680.415998434728     Delta-E=       -0.001244159934 Rises=F Damp=F
 DIIS: error= 1.29D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.415998434728     IErMin= 2 ErrMin= 8.84D-04
 ErrMax= 1.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.69D-04 BMatP= 1.17D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.29D-02
 Coeff-Com: -0.518D-01 0.448D+00 0.603D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.511D-01 0.443D+00 0.608D+00
 Gap=     0.449 Goal=   None    Shift=    0.000
 RMSDP=3.65D-04 MaxDP=2.75D-02 DE=-1.24D-03 OVMax= 8.14D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.97D-04    CP:  1.30D+00  1.18D+00  7.23D-01
 E= -680.416523047662     Delta-E=       -0.000524612935 Rises=F Damp=F
 DIIS: error= 3.75D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.416523047662     IErMin= 4 ErrMin= 3.75D-04
 ErrMax= 3.75D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-04 BMatP= 6.69D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.75D-03
 Coeff-Com: -0.139D-01 0.597D-02 0.298D+00 0.710D+00
 Coeff-En:   0.000D+00 0.000D+00 0.229D-01 0.977D+00
 Coeff:     -0.138D-01 0.595D-02 0.297D+00 0.711D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.26D-04 MaxDP=1.10D-02 DE=-5.25D-04 OVMax= 2.31D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.30D-05    CP:  1.30D+00  1.18D+00  8.22D-01  8.42D-01
 E= -680.416636463237     Delta-E=       -0.000113415575 Rises=F Damp=F
 DIIS: error= 1.25D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.416636463237     IErMin= 5 ErrMin= 1.25D-04
 ErrMax= 1.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.59D-06 BMatP= 1.31D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03
 Coeff-Com:  0.249D-02-0.605D-01 0.273D-01 0.215D+00 0.816D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.249D-02-0.604D-01 0.272D-01 0.214D+00 0.816D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=3.22D-05 MaxDP=4.04D-03 DE=-1.13D-04 OVMax= 9.27D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.75D-05    CP:  1.31D+00  1.18D+00  8.29D-01  8.92D-01  1.16D+00
 E= -680.416645776063     Delta-E=       -0.000009312826 Rises=F Damp=F
 DIIS: error= 2.77D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.416645776063     IErMin= 6 ErrMin= 2.77D-05
 ErrMax= 2.77D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-06 BMatP= 6.59D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.199D-02-0.228D-01-0.174D-01 0.241D-03 0.322D+00 0.716D+00
 Coeff:      0.199D-02-0.228D-01-0.174D-01 0.241D-03 0.322D+00 0.716D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=1.06D-05 MaxDP=7.40D-04 DE=-9.31D-06 OVMax= 2.22D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.33D-06    CP:  1.31D+00  1.18D+00  8.37D-01  8.92D-01  1.18D+00
                    CP:  8.59D-01
 E= -680.416647125987     Delta-E=       -0.000001349924 Rises=F Damp=F
 DIIS: error= 7.43D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.416647125987     IErMin= 7 ErrMin= 7.43D-06
 ErrMax= 7.43D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-08 BMatP= 1.31D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.192D-03 0.613D-02-0.146D-02-0.296D-01-0.778D-01 0.756D-02
 Coeff-Com:  0.110D+01
 Coeff:     -0.192D-03 0.613D-02-0.146D-02-0.296D-01-0.778D-01 0.756D-02
 Coeff:      0.110D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=3.48D-06 MaxDP=2.31D-04 DE=-1.35D-06 OVMax= 9.28D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.32D-06    CP:  1.31D+00  1.18D+00  8.36D-01  8.89D-01  1.21D+00
                    CP:  9.56D-01  1.13D+00
 E= -680.416647219588     Delta-E=       -0.000000093600 Rises=F Damp=F
 DIIS: error= 1.25D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.416647219588     IErMin= 8 ErrMin= 1.25D-06
 ErrMax= 1.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-09 BMatP= 4.42D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.121D-03 0.216D-02 0.821D-03-0.675D-02-0.269D-01-0.268D-01
 Coeff-Com:  0.194D+00 0.864D+00
 Coeff:     -0.121D-03 0.216D-02 0.821D-03-0.675D-02-0.269D-01-0.268D-01
 Coeff:      0.194D+00 0.864D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=5.65D-07 MaxDP=3.23D-05 DE=-9.36D-08 OVMax= 1.43D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.93D-07    CP:  1.31D+00  1.18D+00  8.37D-01  8.88D-01  1.21D+00
                    CP:  9.57D-01  1.15D+00  1.11D+00
 E= -680.416647222917     Delta-E=       -0.000000003329 Rises=F Damp=F
 DIIS: error= 4.94D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.416647222917     IErMin= 9 ErrMin= 4.94D-07
 ErrMax= 4.94D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-10 BMatP= 2.43D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.158D-04-0.264D-04 0.450D-03 0.866D-03 0.628D-03-0.834D-02
 Coeff-Com: -0.549D-01 0.233D+00 0.828D+00
 Coeff:     -0.158D-04-0.264D-04 0.450D-03 0.866D-03 0.628D-03-0.834D-02
 Coeff:     -0.549D-01 0.233D+00 0.828D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=2.06D-07 MaxDP=1.78D-05 DE=-3.33D-09 OVMax= 6.17D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.00D-07    CP:  1.31D+00  1.18D+00  8.37D-01  8.88D-01  1.21D+00
                    CP:  9.59D-01  1.15D+00  1.17D+00  9.14D-01
 E= -680.416647223330     Delta-E=       -0.000000000414 Rises=F Damp=F
 DIIS: error= 2.59D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.416647223330     IErMin=10 ErrMin= 2.59D-07
 ErrMax= 2.59D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.58D-11 BMatP= 2.80D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.614D-05-0.119D-03-0.462D-04 0.421D-03 0.162D-02 0.125D-02
 Coeff-Com: -0.111D-01-0.574D-01-0.575D-02 0.107D+01
 Coeff:      0.614D-05-0.119D-03-0.462D-04 0.421D-03 0.162D-02 0.125D-02
 Coeff:     -0.111D-01-0.574D-01-0.575D-02 0.107D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=5.68D-08 MaxDP=4.24D-06 DE=-4.14D-10 OVMax= 3.74D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.97D-08    CP:  1.31D+00  1.18D+00  8.37D-01  8.88D-01  1.21D+00
                    CP:  9.59D-01  1.15D+00  1.18D+00  9.61D-01  1.24D+00
 E= -680.416647223420     Delta-E=       -0.000000000089 Rises=F Damp=F
 DIIS: error= 1.98D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.416647223420     IErMin=11 ErrMin= 1.98D-07
 ErrMax= 1.98D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-12 BMatP= 1.58D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.295D-05-0.193D-04-0.707D-04-0.853D-05 0.229D-03 0.132D-02
 Coeff-Com:  0.469D-02-0.420D-01-0.103D+00 0.254D+00 0.884D+00
 Coeff:      0.295D-05-0.193D-04-0.707D-04-0.853D-05 0.229D-03 0.132D-02
 Coeff:      0.469D-02-0.420D-01-0.103D+00 0.254D+00 0.884D+00
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=2.47D-08 MaxDP=2.40D-06 DE=-8.94D-11 OVMax= 2.19D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.79D-08    CP:  1.31D+00  1.18D+00  8.37D-01  8.88D-01  1.21D+00
                    CP:  9.59D-01  1.15D+00  1.18D+00  9.77D-01  1.35D+00
                    CP:  1.11D+00
 E= -680.416647223347     Delta-E=        0.000000000073 Rises=F Damp=F
 DIIS: error= 1.08D-07 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -680.416647223420     IErMin=12 ErrMin= 1.08D-07
 ErrMax= 1.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.25D-12 BMatP= 5.62D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-05 0.414D-04-0.133D-04-0.181D-03-0.590D-03 0.114D-03
 Coeff-Com:  0.662D-02 0.587D-02-0.393D-01-0.347D+00 0.374D+00 0.100D+01
 Coeff:     -0.129D-05 0.414D-04-0.133D-04-0.181D-03-0.590D-03 0.114D-03
 Coeff:      0.662D-02 0.587D-02-0.393D-01-0.347D+00 0.374D+00 0.100D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=2.04D-08 MaxDP=2.37D-06 DE= 7.25D-11 OVMax= 2.08D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.19D-08    CP:  1.31D+00  1.18D+00  8.37D-01  8.88D-01  1.21D+00
                    CP:  9.59D-01  1.15D+00  1.18D+00  9.89D-01  1.40D+00
                    CP:  1.39D+00  1.32D+00
 E= -680.416647223377     Delta-E=       -0.000000000030 Rises=F Damp=F
 DIIS: error= 4.15D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -680.416647223420     IErMin=13 ErrMin= 4.15D-08
 ErrMax= 4.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.30D-13 BMatP= 2.25D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.321D-06-0.316D-05 0.193D-04 0.233D-04 0.560D-04-0.270D-03
 Coeff-Com: -0.239D-02 0.900D-02 0.327D-01-0.284D-01-0.250D+00-0.993D-01
 Coeff-Com:  0.134D+01
 Coeff:     -0.321D-06-0.316D-05 0.193D-04 0.233D-04 0.560D-04-0.270D-03
 Coeff:     -0.239D-02 0.900D-02 0.327D-01-0.284D-01-0.250D+00-0.993D-01
 Coeff:      0.134D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=9.44D-09 MaxDP=1.27D-06 DE=-3.02D-11 OVMax= 1.13D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.92D-09    CP:  1.31D+00  1.18D+00  8.37D-01  8.88D-01  1.21D+00
                    CP:  9.59D-01  1.15D+00  1.18D+00  9.91D-01  1.41D+00
                    CP:  1.50D+00  1.65D+00  1.35D+00
 E= -680.416647223450     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 1.10D-08 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -680.416647223450     IErMin=14 ErrMin= 1.10D-08
 ErrMax= 1.10D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-14 BMatP= 2.30D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.133D-06-0.297D-05-0.112D-05 0.125D-04 0.437D-04 0.107D-04
 Coeff-Com: -0.329D-03-0.100D-02 0.655D-03 0.267D-01-0.944D-02-0.644D-01
 Coeff-Com: -0.851D-01 0.113D+01
 Coeff:      0.133D-06-0.297D-05-0.112D-05 0.125D-04 0.437D-04 0.107D-04
 Coeff:     -0.329D-03-0.100D-02 0.655D-03 0.267D-01-0.944D-02-0.644D-01
 Coeff:     -0.851D-01 0.113D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 RMSDP=3.06D-09 MaxDP=3.58D-07 DE=-7.25D-11 OVMax= 2.01D-07

 SCF Done:  E(RM11) =  -680.416647223     A.U. after   14 cycles
            NFock= 14  Conv=0.31D-08     -V/T= 2.1276
 KE= 6.034012243028D+02 PE=-3.900100728560D+03 EE= 1.417960938803D+03
 Leave Link  502 at Fri Jul 23 17:39:37 2021, MaxMem= 10737418240 cpu:            9058.8 elap:             567.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   466
 NBasis=   466 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    466 NOA=    58 NOB=    58 NVA=   408 NVB=   408

 **** Warning!!: The largest alpha MO coefficient is  0.66522841D+02

 Leave Link  801 at Fri Jul 23 17:39:38 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11209 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.94D-13 8.33D-09 XBig12= 1.00D+00 3.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.94D-13 8.33D-09 XBig12= 1.20D-01 8.44D-02.
     11 vectors produced by pass  2 Test12= 3.94D-13 8.33D-09 XBig12= 3.60D-02 6.56D-02.
     11 vectors produced by pass  3 Test12= 3.94D-13 8.33D-09 XBig12= 5.29D-03 2.45D-02.
     11 vectors produced by pass  4 Test12= 3.94D-13 8.33D-09 XBig12= 7.52D-04 7.08D-03.
     11 vectors produced by pass  5 Test12= 3.94D-13 8.33D-09 XBig12= 6.80D-05 2.62D-03.
     11 vectors produced by pass  6 Test12= 3.94D-13 8.33D-09 XBig12= 1.25D-05 1.07D-03.
     11 vectors produced by pass  7 Test12= 3.94D-13 8.33D-09 XBig12= 1.18D-06 1.60D-04.
     11 vectors produced by pass  8 Test12= 3.94D-13 8.33D-09 XBig12= 5.51D-08 5.01D-05.
     11 vectors produced by pass  9 Test12= 3.94D-13 8.33D-09 XBig12= 2.01D-09 7.03D-06.
     11 vectors produced by pass 10 Test12= 3.94D-13 8.33D-09 XBig12= 6.05D-11 1.32D-06.
     11 vectors produced by pass 11 Test12= 3.94D-13 8.33D-09 XBig12= 1.46D-12 2.14D-07.
      4 vectors produced by pass 12 Test12= 3.94D-13 8.33D-09 XBig12= 3.31D-14 2.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   136 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.153259D+03
      2 -0.154643D-02  0.151797D+03
      3 -0.163568D-02  0.655795D-01  0.121378D+03
 Isotropic polarizability for W=    0.085645      142.14 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.844204D+02 -0.487684D+00  0.201318D-01
      2   0.903075D+02  0.518951D+00  0.128542D-01
      3  -0.588713D+01 -0.312679D-01 -0.329860D-01
      4  -0.505693D+00  0.922821D+02 -0.436752D+01
      5  -0.621105D-01  0.722766D+00 -0.851662D+01
      6  -0.801034D+01 -0.705545D-01 -0.475721D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.119557D+01 -0.542262D-01 -0.794120D-03
      2  -0.194271D-01  0.484905D+01 -0.124606D+01
      3  -0.221338D-01 -0.137769D+01 -0.607751D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.509028D+01 -0.834087D-01  0.163043D-01
      2   0.822422D-01  0.364282D+01 -0.262948D+01
      3  -0.180098D-01 -0.197460D+01 -0.873310D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.658337D+00  0.182675D-01  0.551878D-02
      2   0.182675D-01 -0.153027D+01  0.804277D-01
      3   0.551878D-02  0.804277D-01  0.839030D+00
 OR G Eigenvalues:    -1.5331     0.6583     0.8420  Iso=     0.0110
 Eigenvectors:
   (1)  -0.008245   0.999392  -0.033865
   (2)   0.999408   0.007104  -0.033676
   (3)   0.033415   0.034122   0.998859
 w=    0.085645 a.u., Optical Rotation Beta=      0.0110 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =        1.84 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  108811 ScalPx= 6.80D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.58D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.57D-14 2.78D-09 XBig12= 1.00D+00 3.69D-01.
     30 vectors produced by pass  1 Test12= 6.57D-14 2.78D-09 XBig12= 4.54D-01 3.34D-01.
     30 vectors produced by pass  2 Test12= 6.57D-14 2.78D-09 XBig12= 1.43D-02 2.49D-02.
     30 vectors produced by pass  3 Test12= 6.57D-14 2.78D-09 XBig12= 3.12D-04 2.90D-03.
     30 vectors produced by pass  4 Test12= 6.57D-14 2.78D-09 XBig12= 9.59D-06 4.02D-04.
     30 vectors produced by pass  5 Test12= 6.57D-14 2.78D-09 XBig12= 1.54D-07 5.07D-05.
     30 vectors produced by pass  6 Test12= 6.57D-14 2.78D-09 XBig12= 1.99D-09 5.51D-06.
     30 vectors produced by pass  7 Test12= 6.57D-14 2.78D-09 XBig12= 2.37D-11 6.54D-07.
     30 vectors produced by pass  8 Test12= 6.57D-14 2.78D-09 XBig12= 2.55D-13 7.45D-08.
     11 vectors produced by pass  9 Test12= 6.57D-14 2.78D-09 XBig12= 3.06D-15 6.93D-09.
      1 vectors produced by pass 10 Test12= 6.57D-14 2.78D-09 XBig12= 2.26D-15 3.91D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   282 with    30 vectors.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 6.69D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  108811 ScalPx= 6.69D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  108811 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 9.39D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   20910 NPrTT=   55521 LenC2=   20911 LenP2D=   55521.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153259D+03 -0.154643D-02 -0.163568D-02
      2  -0.154643D-02  0.151797D+03  0.655795D-01
      3  -0.163568D-02  0.655795D-01  0.121378D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119557D+01 -0.542262D-01 -0.794120D-03
      2  -0.194271D-01  0.484905D+01 -0.124606D+01
      3  -0.221338D-01 -0.137769D+01 -0.607751D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.844204D+02 -0.487684D+00  0.201318D-01
      2   0.903075D+02  0.518951D+00  0.128542D-01
      3  -0.588713D+01 -0.312679D-01 -0.329860D-01
      4  -0.505693D+00  0.922821D+02 -0.436752D+01
      5  -0.621105D-01  0.722766D+00 -0.851662D+01
      6  -0.801034D+01 -0.705545D-01 -0.475721D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.366647D+01 -0.370781D+01  0.295599D+01 -0.541467D+01  0.136492D+01
      2  -0.370781D+01  0.989752D+00 -0.471190D+00  0.136492D+01  0.297454D+01
      3   0.295599D+01 -0.471190D+00  0.884781D+00 -0.128597D+01  0.293279D+01
                 6             7             8             9            10 
      1  -0.128597D+01  0.272444D+01 -0.834907D+00  0.109091D+01  0.360733D+01
      2   0.293279D+01 -0.834907D+00  0.220669D+01  0.726317D+00  0.370877D+01
      3   0.660980D+00  0.109091D+01  0.726317D+00 -0.709398D+00 -0.294429D+01
                11            12            13            14            15 
      1   0.370877D+01 -0.294429D+01  0.542419D+01  0.142510D+01 -0.127476D+01
      2   0.103968D+01 -0.458374D+00  0.142510D+01 -0.295672D+01 -0.293728D+01
      3  -0.458374D+00  0.874347D+00 -0.127476D+01 -0.293728D+01 -0.656768D+00
                16            17            18            19            20 
      1  -0.270993D+01 -0.822363D+00  0.108252D+01 -0.881082D+01 -0.481901D+01
      2  -0.822363D+00 -0.221018D+01 -0.722680D+00 -0.481901D+01 -0.181158D+01
      3   0.108252D+01 -0.722680D+00  0.712678D+00  0.515358D+01  0.149778D+01
                21            22            23            24            25 
      1   0.515358D+01 -0.232348D+01 -0.749086D+00  0.472816D+00  0.372881D+01
      2   0.149778D+01 -0.749086D+00  0.142908D+01  0.148678D+01  0.139944D+01
      3  -0.245844D+01  0.472816D+00  0.148678D+01 -0.880812D+00 -0.213758D+01
                26            27            28            29            30 
      1   0.139944D+01 -0.213758D+01  0.149992D+01  0.947883D-02  0.395621D-02
      2   0.209206D+01 -0.112242D+01  0.947883D-02 -0.170683D+01 -0.160628D+01
      3  -0.112242D+01 -0.136854D+01  0.395621D-02 -0.160628D+01  0.150678D+00
                31            32            33            34            35 
      1   0.115812D-01 -0.167192D+01  0.188161D+01  0.983571D-02 -0.102611D+00
      2  -0.167192D+01 -0.513104D-02  0.237718D-02 -0.102611D+00  0.165904D-01
      3   0.188161D+01  0.237718D-02  0.336322D-02  0.136154D+00  0.354222D-02
                36            37            38            39            40 
      1   0.136154D+00  0.547675D+01  0.386932D+01 -0.214951D+01  0.599662D+01
      2   0.354222D-02  0.386932D+01  0.163745D+01 -0.315322D+01  0.318141D+01
      3   0.291818D-02 -0.214951D+01 -0.315322D+01  0.220906D+01 -0.376160D+01
                41            42            43            44            45 
      1   0.318141D+01 -0.376160D+01 -0.203083D+01 -0.224702D+01  0.263681D+01
      2   0.294044D+01 -0.261615D+01 -0.224702D+01 -0.176975D+01  0.559587D-01
      3  -0.261615D+01  0.752332D+00  0.263681D+01  0.559587D-01  0.317349D+00
                46            47            48            49            50 
      1  -0.275295D+01 -0.986572D+00 -0.451604D+00 -0.172169D+01 -0.167439D+01
      2  -0.986572D+00 -0.102354D+01  0.312821D+01 -0.167439D+01 -0.117681D+01
      3  -0.451604D+00  0.312821D+01 -0.189610D+01  0.303631D+01  0.237304D+01
                51            52            53            54            55 
      1   0.303631D+01 -0.170165D+00  0.427909D+01 -0.289789D+01  0.534427D+00
      2   0.237304D+01  0.427909D+01  0.289614D+01 -0.822741D+00 -0.650335D+00
      3  -0.254321D+00 -0.289789D+01 -0.822741D+00  0.262234D+00  0.118001D+01
                56            57            58            59            60 
      1  -0.650335D+00  0.118001D+01 -0.465446D+00 -0.318259D+00 -0.276196D+01
      2  -0.139197D+01 -0.266625D+01 -0.318259D+00 -0.451535D+01 -0.299007D+01
      3  -0.266625D+01  0.847513D+00 -0.276196D+01 -0.299007D+01 -0.154542D+01
                61            62            63            64            65 
      1   0.168353D+01 -0.341837D+01  0.856010D+00  0.119794D+01  0.112419D+00
      2  -0.341837D+01 -0.453162D+01 -0.270880D+01  0.112419D+00  0.310800D+01
      3   0.856010D+00 -0.270880D+01 -0.804725D-01 -0.654759D+00  0.213424D+01
                66            67            68            69            70 
      1  -0.654759D+00 -0.112523D+00  0.561013D+00  0.161500D+01 -0.266014D+00
      2   0.213424D+01  0.561013D+00  0.111416D+02  0.506320D+01  0.106514D+01
      3  -0.553929D+00  0.161500D+01  0.506320D+01  0.198262D+01 -0.128690D+01
                71            72            73            74            75 
      1   0.106514D+01 -0.128690D+01 -0.884194D+01  0.479697D+01 -0.515591D+01
      2   0.378939D+01  0.210575D+01  0.479697D+01 -0.177162D+01  0.149141D+01
      3   0.210575D+01 -0.424079D+00 -0.515591D+01  0.149141D+01 -0.247195D+01
                76            77            78            79            80 
      1   0.229335D+01 -0.715599D+00  0.461479D+00 -0.373961D+01  0.140147D+01
      2  -0.715599D+00 -0.143924D+01 -0.148706D+01  0.140147D+01 -0.209412D+01
      3   0.461479D+00 -0.148706D+01  0.861796D+00 -0.215015D+01  0.110772D+01
                81            82            83            84            85 
      1  -0.215015D+01  0.551457D+01 -0.386098D+01  0.216258D+01 -0.599352D+01
      2   0.110772D+01 -0.386098D+01  0.163182D+01 -0.316532D+01  0.316433D+01
      3   0.136706D+01  0.216258D+01 -0.316532D+01  0.220532D+01 -0.377496D+01
                86            87            88            89            90 
      1   0.316433D+01 -0.377496D+01  0.203081D+01 -0.225342D+01  0.263002D+01
      2  -0.292823D+01  0.258844D+01 -0.225342D+01  0.174863D+01 -0.488424D-01
      3   0.258844D+01 -0.745418D+00  0.263002D+01 -0.488424D-01 -0.306285D+00
                91            92            93            94            95 
      1  -0.277133D+01  0.980766D+00  0.426931D+00  0.171848D+01 -0.167851D+01
      2   0.980766D+00 -0.103545D+01  0.314703D+01 -0.167851D+01  0.117342D+01
      3   0.426931D+00  0.314703D+01 -0.188532D+01  0.305151D+01 -0.234675D+01
                96            97            98            99           100 
      1   0.305151D+01  0.139205D+00  0.429588D+01 -0.288700D+01  0.529216D+00
      2  -0.234675D+01  0.429588D+01 -0.285972D+01  0.805064D+00  0.665237D+00
      3   0.241897D+00 -0.288700D+01  0.805064D+00 -0.266640D+00 -0.115393D+01
               101           102           103           104           105 
      1   0.665237D+00 -0.115393D+01  0.471484D+00 -0.313372D+00 -0.278005D+01
      2  -0.139963D+01 -0.268789D+01 -0.313372D+00  0.448118D+01  0.295363D+01
      3  -0.268789D+01  0.827461D+00 -0.278005D+01  0.295363D+01  0.155558D+01
               106           107           108           109           110 
      1  -0.164916D+01 -0.344534D+01  0.830209D+00  0.120117D+01 -0.122119D+00
      2  -0.344534D+01  0.450046D+01  0.272670D+01 -0.122119D+00  0.314363D+01
      3   0.830209D+00  0.272670D+01  0.913899D-01  0.634876D+00  0.215727D+01
               111           112           113           114           115 
      1   0.634876D+00  0.112354D+00  0.598342D+00  0.163491D+01  0.255426D+00
      2   0.215727D+01  0.598342D+00 -0.111095D+02 -0.504482D+01  0.108104D+01
      3  -0.542124D+00  0.163491D+01 -0.504482D+01 -0.199139D+01 -0.127303D+01
               116           117           118           119           120 
      1   0.108104D+01 -0.127303D+01  0.502916D+01  0.176673D+00  0.156683D+01
      2  -0.379884D+01 -0.212753D+01  0.176673D+00  0.134454D+01 -0.267848D+00
      3  -0.212753D+01  0.421502D+00  0.156683D+01 -0.267848D+00  0.140748D+01
               121           122           123           124           125 
      1  -0.764440D+00  0.858421D+00 -0.521442D+00  0.261229D+01 -0.466960D+00
      2   0.858421D+00 -0.831779D+00  0.412770D+00 -0.466960D+00  0.905185D+00
      3  -0.521442D+00  0.412770D+00 -0.424424D+00  0.200524D+01 -0.768840D-02
               126           127           128           129           130 
      1   0.200524D+01  0.432578D+01  0.277243D+01 -0.149942D+01  0.269408D+01
      2  -0.768840D-02  0.277243D+01  0.246100D+01 -0.133489D+01  0.297554D+01
      3   0.217983D+01 -0.149942D+01 -0.133489D+01  0.138317D+01 -0.136599D+01
               131           132           133           134           135 
      1   0.297554D+01 -0.136599D+01 -0.243776D+01 -0.251247D+01  0.243726D+01
      2   0.529188D+01 -0.193189D+01 -0.251247D+01 -0.282434D+01  0.233982D+01
      3  -0.193189D+01  0.152168D+01  0.243726D+01  0.233982D+01 -0.278308D+01
               136           137           138           139           140 
      1  -0.252275D+01  0.110798D+01 -0.111052D+01  0.967900D+00 -0.105694D+01
      2   0.110798D+01 -0.212310D+01  0.857470D+00 -0.105694D+01  0.351398D+01
      3  -0.111052D+01  0.857470D+00 -0.112959D+01  0.557683D+00 -0.932795D+00
               141           142           143           144           145 
      1   0.557683D+00 -0.172485D+01  0.985498D+00 -0.103746D+01  0.147695D+01
      2  -0.932795D+00  0.985498D+00 -0.173116D+01  0.176510D+01  0.192816D+01
      3   0.979191D+00 -0.103746D+01  0.176510D+01 -0.229559D+01  0.537233D+00
               146           147           148           149           150 
      1   0.192816D+01  0.537233D+00  0.150707D+01  0.186242D+01  0.822307D+00
      2   0.212547D+01  0.856466D+00  0.186242D+01  0.864323D+01  0.268729D+01
      3   0.856466D+00  0.575974D+00  0.822307D+00  0.268729D+01  0.187484D+01
               151           152           153           154           155 
      1   0.484145D+00  0.139825D+01  0.747211D+00 -0.250799D+01 -0.110795D+01
      2   0.139825D+01  0.476798D+01  0.316182D+01 -0.110795D+01 -0.212455D+01
      3   0.747211D+00  0.316182D+01  0.254176D+01  0.110016D+01  0.856632D+00
               156           157           158           159           160 
      1   0.110016D+01 -0.972134D+00 -0.105854D+01  0.558033D+00  0.171113D+01
      2   0.856632D+00 -0.105854D+01 -0.354671D+01  0.944165D+00  0.985718D+00
      3  -0.112062D+01  0.558033D+00  0.944165D+00 -0.985844D+00 -0.102612D+01
               161           162           163           164           165 
      1   0.985718D+00 -0.102612D+01  0.150060D+01 -0.193943D+01 -0.547850D+00
      2   0.174468D+01 -0.176989D+01 -0.193943D+01  0.214751D+01  0.869858D+00
      3  -0.176989D+01  0.228804D+01 -0.547850D+00  0.869858D+00  0.589024D+00
               166           167           168           169           170 
      1  -0.151543D+01  0.187773D+01  0.833359D+00 -0.499972D+00  0.141848D+01
      2   0.187773D+01 -0.858913D+01 -0.268212D+01  0.141848D+01 -0.476304D+01
      3   0.833359D+00 -0.268212D+01 -0.187573D+01  0.765579D+00 -0.316598D+01
               171           172           173           174           175 
      1   0.765579D+00  0.502846D+01 -0.160007D+00 -0.156069D+01  0.780614D+00
      2  -0.316598D+01 -0.160007D+00  0.134377D+01 -0.275325D+00  0.862422D+00
      3  -0.255719D+01 -0.156069D+01 -0.275325D+00  0.140205D+01 -0.528033D+00
               176           177           178           179           180 
      1   0.862422D+00 -0.528033D+00 -0.260034D+01 -0.479372D+00  0.200019D+01
      2   0.853191D+00 -0.417499D+00 -0.479372D+00 -0.908797D+00  0.193628D-01
      3  -0.417499D+00  0.431761D+00  0.200019D+01  0.193628D-01 -0.217389D+01
               181           182           183           184           185 
      1   0.436124D+01 -0.278008D+01  0.150909D+01 -0.270167D+01  0.297882D+01
      2  -0.278008D+01  0.246611D+01 -0.133731D+01  0.297882D+01 -0.526751D+01
      3   0.150909D+01 -0.133731D+01  0.138701D+01 -0.136689D+01  0.191955D+01
               186           187           188           189           190 
      1  -0.136689D+01  0.245086D+01 -0.251195D+01  0.244123D+01  0.421998D+01
      2   0.191955D+01 -0.251195D+01  0.280265D+01 -0.232852D+01  0.102671D+01
      3  -0.151500D+01  0.244123D+01 -0.232852D+01  0.277744D+01  0.169480D+01
               191           192           193           194           195 
      1   0.102671D+01  0.169480D+01  0.259985D+01  0.406449D-01  0.185243D+01
      2   0.159790D+01  0.825266D+00  0.406449D-01  0.208027D+01 -0.113946D+00
      3   0.825266D+00  0.142355D+01  0.185243D+01 -0.113946D+00  0.134080D+01
               196           197           198           199           200 
      1   0.905799D+00  0.111980D+01  0.879846D+00 -0.164092D+01  0.132321D+01
      2   0.111980D+01  0.224302D-01  0.649049D+00  0.132321D+01 -0.981527D+00
      3   0.879846D+00  0.649049D+00  0.168040D+01 -0.171526D+00  0.103255D+01
               201           202           203           204           205 
      1  -0.171526D+00  0.775636D-01 -0.678432D-01  0.396647D+00  0.106711D+01
      2   0.103255D+01 -0.678432D-01 -0.120446D+01  0.873534D+00 -0.145617D+00
      3  -0.157178D+01  0.396647D+00  0.873534D+00 -0.128257D+01  0.661917D-01
               206           207           208           209           210 
      1  -0.145617D+00  0.661917D-01 -0.344918D+01 -0.101938D+01 -0.152883D+01
      2   0.123483D+01 -0.127537D+01 -0.101938D+01 -0.355596D+01 -0.192661D+01
      3  -0.127537D+01  0.559941D+01 -0.152883D+01 -0.192661D+01 -0.179900D+01
               211           212           213           214           215 
      1  -0.160906D+01 -0.134762D+01 -0.957079D+00 -0.126538D+01 -0.921304D+00
      2  -0.134762D+01 -0.110247D+01 -0.116068D+00 -0.921304D+00  0.248220D+00
      3  -0.957079D+00 -0.116068D+00 -0.663441D+00 -0.961133D+00 -0.535045D+00
               216           217           218           219           220 
      1  -0.961133D+00  0.871496D+00 -0.678910D+00 -0.126097D+01 -0.493465D+00
      2  -0.535045D+00 -0.678910D+00  0.151652D+01  0.430380D+00 -0.863226D-01
      3  -0.175222D+01 -0.126097D+01  0.430380D+00  0.191276D+01 -0.221687D+00
               221           222           223           224           225 
      1  -0.863226D-01 -0.221687D+00 -0.109001D+01  0.167422D+00  0.111628D+01
      2   0.216899D+01  0.448048D+00  0.167422D+00 -0.128383D+01 -0.751352D+00
      3   0.448048D+00  0.610738D+00  0.111628D+01 -0.751352D+00 -0.548666D+01
               226           227           228           229           230 
      1   0.620027D+00  0.368392D+00  0.944154D+00  0.231898D+01 -0.112603D+01
      2   0.368392D+00 -0.100386D+01 -0.162698D+00 -0.112603D+01  0.567593D+01
      3   0.944154D+00 -0.162698D+00  0.248988D+00  0.794743D+00 -0.877970D+00
               231           232           233           234           235 
      1   0.794743D+00  0.190550D+01 -0.433092D+00  0.629890D+00  0.106854D+01
      2  -0.877970D+00 -0.433092D+00  0.227059D-01  0.459787D+00 -0.856746D+00
      3   0.118376D+01  0.629890D+00  0.459787D+00 -0.216338D+00  0.153715D+00
               236           237           238           239           240 
      1  -0.856746D+00  0.153715D+00 -0.137151D+01  0.126835D+00 -0.477505D+00
      2  -0.777402D-01 -0.395883D+00  0.126835D+00  0.715005D+00 -0.548558D+00
      3  -0.395883D+00  0.701418D+00 -0.477505D+00 -0.548558D+00 -0.354031D+00
               241           242           243           244           245 
      1  -0.171192D+01  0.202122D+00 -0.875530D+00 -0.346266D+01  0.102573D+01
      2   0.202122D+00 -0.955126D+00  0.105776D+01  0.102573D+01 -0.355533D+01
      3  -0.875530D+00  0.105776D+01 -0.695716D+01  0.154124D+01 -0.192291D+01
               246           247           248           249           250 
      1   0.154124D+01  0.160703D+01 -0.134177D+01 -0.952698D+00  0.127266D+01
      2  -0.192291D+01 -0.134177D+01  0.107842D+01  0.106524D+00 -0.916395D+00
      3  -0.180350D+01 -0.952698D+00  0.106524D+00  0.659265D+00 -0.964445D+00
               251           252           253           254           255 
      1  -0.916395D+00 -0.964445D+00  0.867433D+00  0.677996D+00  0.126421D+01
      2  -0.250280D+00  0.536205D+00  0.677996D+00  0.153196D+01  0.439498D+00
      3   0.536205D+00  0.175714D+01  0.126421D+01  0.439498D+00  0.191983D+01
               256           257           258           259           260 
      1   0.497773D+00 -0.740676D-01 -0.215372D+00  0.109029D+01  0.169108D+00
      2  -0.740676D-01 -0.216410D+01 -0.447003D+00  0.169108D+00  0.128858D+01
      3  -0.215372D+00 -0.447003D+00 -0.598701D+00  0.111770D+01  0.762127D+00
               261           262           263           264           265 
      1   0.111770D+01  0.424532D+01 -0.102378D+01 -0.169766D+01 -0.259055D+01
      2   0.762127D+00 -0.102378D+01  0.160427D+01  0.816983D+00  0.380733D-01
      3   0.548711D+01 -0.169766D+01  0.816983D+00  0.142172D+01  0.184341D+01
               266           267           268           269           270 
      1   0.380733D-01  0.184341D+01 -0.902029D+00  0.111773D+01  0.872781D+00
      2  -0.207944D+01  0.128957D+00  0.111773D+01 -0.735755D-02 -0.644359D+00
      3   0.128957D+00 -0.133047D+01  0.872781D+00 -0.644359D+00 -0.166556D+01
               271           272           273           274           275 
      1  -0.162768D+01 -0.132655D+01  0.168141D+00 -0.859894D-01 -0.731238D-01
      2  -0.132655D+01 -0.987698D+00  0.103070D+01 -0.731238D-01  0.119439D+01
      3   0.168141D+00  0.103070D+01 -0.156957D+01  0.396578D+00 -0.864675D+00
               276           277           278           279           280 
      1   0.396578D+00 -0.107027D+01 -0.150820D+00  0.708811D-01 -0.107073D+01
      2  -0.864675D+00 -0.150820D+00 -0.123648D+01  0.126997D+01 -0.829356D+00
      3   0.126860D+01  0.708811D-01  0.126997D+01 -0.561295D+01 -0.102643D+01
               281           282           283           284           285 
      1  -0.829356D+00 -0.102643D+01 -0.155312D+01 -0.128882D+01 -0.521231D+00
      2  -0.429454D+00 -0.202963D+00 -0.128882D+01 -0.423473D+01 -0.204615D+01
      3  -0.202963D+00 -0.429208D+00 -0.521231D+00 -0.204615D+01 -0.221339D+01
               286           287           288           289           290 
      1  -0.159500D+01 -0.383206D+00 -0.913410D+00 -0.901174D+01  0.227414D+01
      2  -0.383206D+00 -0.149732D+01 -0.153837D+01  0.227414D+01 -0.159998D+01
      3  -0.913410D+00 -0.153837D+01 -0.218581D+01 -0.243624D+01  0.618856D+00
               291           292           293           294           295 
      1  -0.243624D+01  0.426611D+01 -0.248347D+01  0.138942D+01 -0.274975D+01
      2   0.618856D+00 -0.248347D+01  0.140986D+01 -0.126828D+01  0.787633D+00
      3  -0.182799D+01  0.138942D+01 -0.126828D+01  0.898413D+00 -0.242106D+01
               296           297           298           299           300 
      1   0.787633D+00 -0.242106D+01 -0.897819D+01 -0.229524D+01  0.241856D+01
      2  -0.767135D+00  0.651511D+00 -0.229524D+01 -0.161428D+01  0.619444D+00
      3   0.651511D+00 -0.149331D+01  0.241856D+01  0.619444D+00 -0.181705D+01
               301           302           303           304           305 
      1  -0.429041D+01 -0.250820D+01  0.138936D+01  0.272870D+01  0.790177D+00
      2  -0.250820D+01 -0.143972D+01  0.127304D+01  0.790177D+00  0.770746D+00
      3   0.138936D+01  0.127304D+01 -0.904013D+00 -0.240902D+01 -0.658716D+00
               306           307           308           309           310 
      1  -0.240902D+01 -0.108264D+01  0.836590D+00  0.102901D+01  0.156558D+01
      2  -0.658716D+00  0.836590D+00 -0.445731D+00 -0.212375D+00 -0.130431D+01
      3   0.148128D+01  0.102901D+01 -0.212375D+00 -0.441351D+00 -0.529536D+00
               311           312           313           314           315 
      1  -0.130431D+01 -0.529536D+00  0.159867D+01 -0.388626D+00 -0.920468D+00
      2   0.422369D+01  0.204169D+01 -0.388626D+00  0.149422D+01  0.153436D+01
      3   0.204169D+01  0.221122D+01 -0.920468D+00  0.153436D+01  0.218235D+01
               316           317           318           319           320 
      1   0.105540D+01  0.861729D+00 -0.150318D+00  0.138269D+01  0.137958D+00
      2   0.861729D+00 -0.701249D-01 -0.395561D+00  0.137958D+00 -0.709251D+00
      3  -0.150318D+00 -0.395561D+00  0.693653D+00 -0.482311D+00  0.543574D+00
               321           322           323           324           325 
      1  -0.482311D+00  0.171099D+01  0.205953D+00 -0.878549D+00  0.633328D+00
      2   0.543574D+00  0.205953D+00  0.953914D+00 -0.105072D+01 -0.358447D+00
      3   0.369157D+00 -0.878549D+00 -0.105072D+01  0.696131D+01 -0.944631D+00
               326           327           328           329           330 
      1  -0.358447D+00 -0.944631D+00 -0.231419D+01 -0.111579D+01  0.791480D+00
      2  -0.979439D+00 -0.167108D+00 -0.111579D+01 -0.568884D+01  0.889678D+00
      3  -0.167108D+00  0.251729D+00  0.791480D+00  0.889678D+00 -0.118626D+01
               331           332           333 
      1  -0.189722D+01 -0.436085D+00  0.626824D+00
      2  -0.436085D+00 -0.170039D-01 -0.458908D+00
      3   0.626824D+00 -0.458908D+00  0.223986D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.214448D+01 -0.443920D+00  0.160328D+00  0.607039D+00 -0.223956D+01
      2  -0.514837D+01 -0.669148D+01  0.686052D+01 -0.813419D+01 -0.765880D+01
      3  -0.102251D+02 -0.143220D+01  0.282180D+01  0.799713D+00  0.110266D+02
                 6             7             8             9            10 
      1  -0.402431D+01  0.663828D+00 -0.150504D+00 -0.858869D+00  0.213694D+01
      2  -0.654869D+01  0.286345D+01 -0.182972D+01  0.220445D+01  0.521737D+01
      3   0.814465D+01  0.407329D+01  0.848379D+01  0.433207D+01  0.102397D+02
                11            12            13            14            15 
      1   0.499898D+00 -0.171892D+00 -0.539197D+00 -0.224568D+01 -0.404232D+01
      2  -0.672656D+01  0.685198D+01 -0.818228D+01  0.758421D+01  0.654341D+01
      3  -0.129395D+01  0.288597D+01  0.963437D+00 -0.110033D+02 -0.814086D+01
                16            17            18            19            20 
      1  -0.670684D+00 -0.154597D+00 -0.841666D+00 -0.186823D+01  0.748415D+01
      2   0.286059D+01  0.182365D+01 -0.219755D+01 -0.229986D+02 -0.358707D+01
      3   0.414760D+01 -0.847828D+01 -0.432533D+01 -0.173720D+02  0.193147D+01
                21            22            23            24            25 
      1   0.364245D+01  0.209821D+02  0.170507D+02 -0.112606D+02  0.144091D+02
      2  -0.225566D+00 -0.194535D+01 -0.304999D+01 -0.119683D+01 -0.269723D+02
      3   0.453749D+01  0.283862D+02  0.188034D+02 -0.115082D+02  0.483589D+01
                26            27            28            29            30 
      1   0.752076D+01 -0.158158D+02 -0.210650D+01  0.132662D-01  0.245674D-01
      2  -0.103659D+02  0.241722D+02  0.500377D-02  0.117318D+01 -0.909187D+01
      3  -0.262875D+01 -0.118693D+01 -0.237243D-01  0.152232D+02  0.104183D+01
                31            32            33            34            35 
      1  -0.313492D-01  0.127046D+00  0.106439D+02  0.760932D-02 -0.191721D+02
      2  -0.322197D+00 -0.243667D-01 -0.210759D-01  0.211675D+02  0.168933D-01
      3  -0.176672D+02  0.438325D-01  0.456058D-01  0.503409D+00  0.112962D-01
                36            37            38            39            40 
      1   0.538263D+00 -0.518621D+01  0.940264D+01  0.628740D+01  0.163821D+02
      2  -0.932697D-02 -0.243559D+02 -0.100108D+02  0.841825D+01  0.468583D+00
      3  -0.686873D-02 -0.232906D+02 -0.222387D+01  0.118038D+02  0.229903D+02
                41            42            43            44            45 
      1   0.143444D+02 -0.669202D+01  0.134737D+02  0.916713D+01 -0.830471D+01
      2   0.210402D+00 -0.993269D+01 -0.221097D+02 -0.200784D+02  0.211251D+02
      3   0.200809D+02 -0.113259D+02  0.407466D+01 -0.674228D+01  0.393226D+01
                46            47            48            49            50 
      1   0.646823D+01 -0.507556D+01  0.272946D+01 -0.442879D+01 -0.860147D+01
      2  -0.468542D+01  0.556202D+01 -0.184189D+01  0.425108D+01  0.585687D+01
      3  -0.404241D+01  0.533501D-01 -0.979642D+01  0.540579D+01 -0.243728D+01
                51            52            53            54            55 
      1  -0.611884D+01  0.739234D+00 -0.321443D+01  0.211001D+01 -0.122738D+01
      2   0.283018D+01 -0.371770D+01  0.402116D+01 -0.175402D+01 -0.735299D+00
      3  -0.283392D+01 -0.139699D+02 -0.132148D+01 -0.492652D+01  0.557825D+01
                56            57            58            59            60 
      1   0.948934D+01 -0.633153D+01  0.107693D+02  0.302669D+01 -0.695410D+00
      2  -0.437842D+01  0.414720D+01 -0.379099D+01 -0.210664D+00  0.690484D+00
      3  -0.416937D+01  0.309851D+01  0.775762D+00  0.363772D+00 -0.956671D+01
                61            62            63            64            65 
      1  -0.620805D+01 -0.182924D+00 -0.250019D+01  0.173913D+00  0.213812D+01
      2   0.116628D+00  0.138513D+01  0.939928D+00 -0.220807D+01  0.221826D+02
      3   0.597428D+01 -0.124254D+02  0.523325D+01 -0.489601D+00 -0.375174D+02
                66            67            68            69            70 
      1   0.644779D+01 -0.184335D+01 -0.236318D+02  0.116795D+01  0.759967D+01
      2   0.134987D+02  0.105098D+02 -0.146823D+01 -0.261877D+01  0.160057D+01
      3  -0.157376D+02 -0.107604D+02  0.438651D+01  0.476211D+01 -0.760337D+01
                71            72            73            74            75 
      1   0.340303D+02  0.217256D+02 -0.184045D+01 -0.752108D+01 -0.357743D+01
      2   0.605935D-01  0.306362D+01  0.230666D+02 -0.354436D+01 -0.160316D+00
      3   0.735494D+00 -0.390987D+01  0.172969D+02  0.200347D+01  0.450532D+01
                76            77            78            79            80 
      1  -0.210089D+02  0.169399D+02 -0.112494D+02 -0.143488D+02  0.748262D+01
      2  -0.196384D+01  0.309423D+01  0.119010D+01 -0.269662D+02  0.103418D+02
      3   0.284094D+02 -0.186833D+02  0.114866D+02  0.484194D+01  0.262392D+01
                81            82            83            84            85 
      1  -0.157280D+02 -0.518144D+01 -0.943642D+01 -0.633736D+01 -0.164435D+02
      2  -0.242235D+02  0.242844D+02 -0.100087D+02  0.836762D+01  0.517804D+00
      3   0.114913D+01  0.231625D+02 -0.213046D+01  0.118058D+02  0.231133D+02
                86            87            88            89            90 
      1   0.142779D+02 -0.673422D+01 -0.134425D+02  0.903792D+01 -0.824806D+01
      2  -0.230771D+00  0.998862D+01 -0.221731D+02  0.200350D+02 -0.211068D+02
      3  -0.200313D+02  0.113845D+02  0.405825D+01  0.679455D+01 -0.392730D+01
                91            92            93            94            95 
      1   0.641079D+01  0.512482D+01 -0.266199D+01  0.446794D+01 -0.850162D+01
      2   0.468019D+01  0.562656D+01 -0.180353D+01  0.428505D+01 -0.581096D+01
      3   0.405289D+01  0.107132D+00 -0.981193D+01  0.543699D+01  0.244946D+01
                96            97            98            99           100 
      1  -0.614109D+01 -0.675262D+00 -0.324137D+01  0.209156D+01 -0.114196D+01
      2  -0.288297D+01 -0.366914D+01 -0.408820D+01  0.175974D+01  0.767331D+00
      3   0.276814D+01 -0.139565D+02  0.122206D+01  0.492706D+01 -0.556131D+01
               101           102           103           104           105 
      1  -0.952636D+01  0.626992D+01 -0.107947D+02  0.297791D+01 -0.630531D+00
      2  -0.442012D+01  0.415890D+01 -0.383253D+01  0.187699D+00 -0.679749D+00
      3  -0.422624D+01  0.305799D+01  0.738483D+00 -0.435298D+00  0.959539D+01
               106           107           108           109           110 
      1   0.614774D+01 -0.981108D-01 -0.246335D+01  0.160008D+00 -0.215665D+01
      2   0.123107D+00 -0.137762D+01 -0.939358D+00  0.209704D+01  0.221646D+02
      3   0.589958D+01  0.124711D+02 -0.518308D+01  0.653114D+00 -0.374763D+02
               111           112           113           114           115 
      1  -0.651423D+01  0.188981D+01 -0.236132D+02  0.110143D+01 -0.771492D+01
      2   0.134550D+02  0.105128D+02  0.153790D+01  0.268362D+01  0.156163D+01
      3  -0.157095D+02 -0.107210D+02 -0.459328D+01 -0.483029D+01 -0.757397D+01
               116           117           118           119           120 
      1   0.340246D+02  0.217555D+02 -0.438292D+01  0.118251D+01 -0.315667D+01
      2   0.514265D-01 -0.300188D+01  0.534736D+01 -0.107990D+01  0.528474D+01
      3  -0.763274D+00  0.390145D+01  0.119240D+02 -0.472392D+01  0.511325D+01
               121           122           123           124           125 
      1   0.161095D+01 -0.966550D+00  0.644581D+00 -0.455918D+01  0.213802D+01
      2  -0.179476D+01  0.145598D+01 -0.222371D+01  0.466959D+01 -0.605972D+00
      3  -0.387826D+01  0.668756D+01 -0.296588D+01  0.813753D+01 -0.496375D+01
               126           127           128           129           130 
      1  -0.619948D+01  0.177951D+01  0.106683D+01 -0.355557D+01  0.228708D+01
      2   0.719242D+01 -0.717589D+00 -0.110343D+01  0.345870D+01 -0.205041D+01
      3   0.514806D+01  0.464673D+01 -0.176368D+00 -0.990181D+00  0.109402D+01
               131           132           133           134           135 
      1   0.147389D+01 -0.408125D+01 -0.221990D+01 -0.306611D+00  0.559368D+01
      2  -0.259114D+01  0.347650D+01  0.128456D+01  0.225595D+01 -0.515070D+01
      3  -0.511981D+01  0.781099D+00  0.868672D+00  0.354306D+01  0.240425D+00
               136           137           138           139           140 
      1   0.476383D+01 -0.344519D+01  0.503727D+01 -0.246985D+01  0.345555D+01
      2  -0.976320D+00  0.766679D+00  0.358725D+00  0.622385D+00 -0.504877D+00
      3  -0.121777D+02  0.389830D+01 -0.536976D+01  0.440767D+01 -0.636680D+01
               141           142           143           144           145 
      1  -0.393803D+01  0.437460D+01 -0.468493D+01  0.938334D+01 -0.533984D+00
      2   0.283665D+00 -0.217498D+01  0.597272D+00 -0.170991D+01 -0.243548D+00
      3   0.278720D+01 -0.811286D+01  0.454646D+01 -0.507805D+01  0.298754D+01
               146           147           148           149           150 
      1  -0.254897D+01 -0.193183D+01 -0.104762D+01 -0.425078D+01 -0.666434D+01
      2   0.357169D+00  0.976958D+00 -0.397368D+00  0.147430D+01  0.197620D+01
      3   0.287087D+01  0.776680D+00  0.473347D+01 -0.237703D+01 -0.381131D+00
               151           152           153           154           155 
      1  -0.704544D+00 -0.272087D+01 -0.694890D+01  0.472644D+01  0.345110D+01
      2  -0.128079D+01  0.685999D+00  0.211200D+01  0.977250D+00  0.775271D+00
      3   0.247222D+01  0.249332D+01 -0.287003D+00  0.121441D+02  0.393726D+01
               156           157           158           159           160 
      1  -0.500971D+01  0.246938D+01  0.350351D+01 -0.397193D+01 -0.433467D+01
      2   0.347690D+00  0.630924D+00  0.522904D+00 -0.296470D+00 -0.217266D+01
      3  -0.534066D+01  0.443951D+01  0.643842D+01 -0.280326D+01 -0.807740D+01
               161           162           163           164           165 
      1  -0.471822D+01  0.936329D+01 -0.553539D+00  0.255830D+01  0.196783D+01
      2  -0.625612D+00  0.173522D+01  0.246438D+00  0.373074D+00  0.997289D+00
      3  -0.458358D+01  0.506370D+01 -0.302824D+01  0.285059D+01  0.779972D+00
               166           167           168           169           170 
      1   0.107586D+01 -0.424539D+01 -0.664408D+01  0.739246D+00 -0.273121D+01
      2  -0.385391D+00 -0.149310D+01 -0.199662D+01 -0.127522D+01 -0.702078D+00
      3   0.470604D+01  0.239873D+01  0.374403D+00  0.249344D+01 -0.248900D+01
               171           172           173           174           175 
      1  -0.698560D+01 -0.434466D+01 -0.119756D+01  0.312352D+01 -0.161990D+01
      2  -0.215275D+01 -0.534889D+01 -0.111067D+01  0.527419D+01 -0.182082D+01
      3   0.270510D+00 -0.119097D+02 -0.477727D+01  0.510683D+01 -0.392512D+01
               176           177           178           179           180 
      1  -0.989400D+00  0.658155D+00  0.451927D+01  0.216755D+01 -0.615829D+01
      2  -0.148170D+01  0.225559D+01  0.467274D+01  0.644222D+00 -0.719932D+01
      3  -0.676889D+01  0.299752D+01  0.811517D+01  0.501002D+01 -0.514909D+01
               181           182           183           184           185 
      1   0.178708D+01 -0.106200D+01  0.355520D+01 -0.227210D+01  0.144132D+01
      2   0.730579D+00 -0.111140D+01  0.348116D+01 -0.205938D+01  0.257438D+01
      3  -0.466296D+01 -0.213183D+00 -0.986957D+00  0.105105D+01  0.512572D+01
               186           187           188           189           190 
      1  -0.405475D+01  0.220849D+01 -0.288034D+00  0.556440D+01  0.437159D+01
      2  -0.347717D+01  0.128817D+01 -0.223783D+01  0.515761D+01 -0.270118D+01
      3  -0.781386D+00  0.875006D+00 -0.352291D+01 -0.243015D+00 -0.691420D+01
               191           192           193           194           195 
      1   0.352138D+01  0.319773D+01  0.490581D+01  0.464040D+01  0.226159D+01
      2  -0.114284D+01  0.796372D+00 -0.512650D+01  0.825991D+00 -0.659684D+00
      3  -0.547100D+01 -0.344197D+01 -0.758390D+01 -0.535429D+01 -0.427715D+01
               196           197           198           199           200 
      1   0.166245D+01  0.245853D+01  0.237800D+01  0.104332D+01 -0.148686D+01
      2   0.654920D+00  0.952751D+00  0.682515D+00 -0.265362D+01  0.378070D+01
      3  -0.123341D+01 -0.916616D+00 -0.281225D+01 -0.283597D+01  0.275163D+01
               201           202           203           204           205 
      1  -0.864106D+00  0.201448D+00 -0.193378D+00 -0.876831D+00 -0.111527D+00
      2  -0.656203D+01  0.201236D+01  0.135591D+01 -0.247132D+01 -0.152704D+01
      3  -0.326211D+01  0.198756D+01  0.928121D+00 -0.142991D+01 -0.714638D-01
               206           207           208           209           210 
      1   0.138430D+01  0.407531D+01 -0.239103D+01  0.277967D+01 -0.194180D+01
      2  -0.264214D+01  0.111859D+02 -0.781667D+01 -0.471333D+01 -0.341712D+01
      3  -0.222672D+01  0.230678D+01  0.114456D+02  0.499834D+01  0.601383D+01
               211           212           213           214           215 
      1   0.172462D+00 -0.109942D+01 -0.173258D+01 -0.254741D+01 -0.144123D+00
      2  -0.172027D+01 -0.258709D+00 -0.898531D+00 -0.236161D+01 -0.119098D+00
      3   0.300991D+01  0.850540D+00  0.869423D+00  0.194341D+01  0.683346D+00
               216           217           218           219           220 
      1  -0.184627D+01 -0.234235D+01  0.537333D+00  0.528772D+01 -0.432624D+00
      2  -0.179557D+01  0.179994D+01 -0.147462D+01 -0.156807D+01  0.774645D+00
      3   0.284959D+01 -0.222941D+01  0.923993D+00  0.296486D+01  0.672233D-01
               221           222           223           224           225 
      1   0.289054D+01  0.364242D+01  0.210998D+01  0.287828D+00 -0.114645D+02
      2  -0.292791D+01 -0.168223D+01 -0.245329D+01  0.744172D+00  0.172220D+01
      3   0.403700D+01  0.205957D+01  0.212875D+01 -0.113935D+01 -0.247203D+01
               226           227           228           229           230 
      1   0.151979D+01 -0.141170D+01  0.127317D+01  0.283942D+01 -0.996288D+01
      2   0.186286D+01  0.283814D+00  0.180711D+01  0.294346D+01  0.333252D+00
      3  -0.691092D-01  0.968879D+00 -0.865931D+00  0.325161D+00  0.121758D+02
               231           232           233           234           235 
      1   0.397820D+00  0.303660D+01 -0.271730D+01  0.375825D+00 -0.271885D+01
      2  -0.840296D+00  0.162114D+01 -0.197062D+01  0.741083D+00 -0.249705D+00
      3  -0.194389D+01 -0.876535D+00  0.265533D+01  0.796346D-02  0.186267D+01
               236           237           238           239           240 
      1   0.105319D+01 -0.248989D+01  0.116613D+01  0.302600D+00  0.190365D+01
      2   0.183460D+01 -0.325441D+01  0.688877D+00  0.121533D+01  0.134430D+01
      3  -0.949469D+00 -0.843510D-01  0.294835D+00  0.159840D+00 -0.170257D+01
               241           242           243           244           245 
      1   0.152587D+01  0.604769D+00  0.666773D+01 -0.240784D+01 -0.275299D+01
      2  -0.110206D+01 -0.257119D+01  0.138435D+02  0.782970D+01 -0.470119D+01
      3  -0.198193D+01 -0.136745D+01  0.142171D+01 -0.114755D+02  0.496494D+01
               246           247           248           249           250 
      1   0.197461D+01 -0.166537D+00 -0.111312D+01 -0.173084D+01  0.255913D+01
      2  -0.341243D+01 -0.169476D+01  0.224600D+00  0.881001D+00 -0.235557D+01
      3   0.601823D+01  0.297607D+01 -0.821160D+00 -0.850957D+00  0.195116D+01
               251           252           253           254           255 
      1  -0.133605D+00 -0.185778D+01 -0.234313D+01 -0.556782D+00 -0.530739D+01
      2   0.119974D+00  0.179275D+01 -0.180851D+01 -0.149462D+01 -0.159395D+01
      3  -0.691745D+00 -0.286006D+01  0.223319D+01  0.950043D+00  0.298025D+01
               256           257           258           259           260 
      1   0.409072D+00  0.285625D+01  0.360030D+01 -0.211335D+01  0.265885D+00
      2   0.759248D+00  0.293732D+01  0.168497D+01 -0.246410D+01 -0.758139D+00
      3   0.847702D-01 -0.403058D+01 -0.204846D+01  0.213349D+01  0.115594D+01
               261           262           263           264           265 
      1  -0.114577D+02  0.439241D+01 -0.352335D+01 -0.318784D+01 -0.487870D+01
      2  -0.176602D+01  0.274904D+01 -0.115430D+01  0.787255D+00 -0.515028D+01
      3   0.248595D+01  0.697823D+01 -0.549230D+01 -0.344336D+01 -0.759168D+01
               266           267           268           269           270 
      1   0.463566D+01  0.222220D+01 -0.164869D+01  0.244114D+01  0.234819D+01
      2  -0.806736D+00  0.668225D+00  0.672645D+00 -0.939937D+00 -0.671717D+00
      3   0.536128D+01  0.423603D+01 -0.120804D+01  0.895905D+00  0.278777D+01
               271           272           273           274           275 
      1   0.101106D+01  0.146101D+01  0.890133D+00 -0.210503D+00 -0.182771D+00
      2   0.265994D+01  0.379257D+01 -0.655834D+01  0.202862D+01 -0.132301D+01
      3   0.282349D+01  0.274863D+01 -0.324786D+01  0.199739D+01 -0.897663D+00
               276           277           278           279           280 
      1  -0.874370D+00  0.110323D+00  0.138683D+01  0.412812D+01  0.879075D+00
      2   0.242426D+01 -0.150916D+01  0.263337D+01 -0.112116D+02  0.369257D+01
      3   0.141328D+01 -0.651989D-01  0.222940D+01 -0.229167D+01 -0.281971D+01
               281           282           283           284           285 
      1   0.663872D-01  0.202925D+00  0.134800D+01  0.522316D+01  0.562987D+00
      2  -0.658326D+00  0.221124D+00 -0.724571D+00  0.600554D+01  0.790931D+01
      3  -0.914572D+00 -0.406797D+00 -0.144313D+01 -0.161388D+02 -0.733510D+01
               286           287           288           289           290 
      1   0.398311D-01  0.278988D+01  0.115744D+01 -0.147608D+01  0.153763D+01
      2  -0.283488D+00  0.542124D+01  0.630982D+01 -0.325236D+00 -0.494618D+00
      3  -0.886338D+00 -0.564028D+01 -0.588181D+01  0.528473D+01 -0.645813D+01
               291           292           293           294           295 
      1  -0.176956D+00  0.164834D+01 -0.146677D+01 -0.113332D+00 -0.880634D-01
      2   0.588304D+01  0.358459D+01  0.124864D+01 -0.152609D+01  0.229473D+01
      3   0.229263D+01 -0.354853D+01  0.486571D+01 -0.335110D+01 -0.451761D-01
               296           297           298           299           300 
      1   0.132517D+01  0.885546D-01 -0.146384D+01 -0.152980D+01  0.148377D+00
      2  -0.150248D+01  0.263162D+01  0.305478D+00 -0.488362D+00  0.587424D+01
      3  -0.298839D+01  0.111486D+01 -0.526318D+01 -0.646578D+01  0.227032D+01
               301           302           303           304           305 
      1  -0.166949D+01 -0.147547D+01 -0.123916D+00  0.777858D-01  0.131464D+01
      2   0.359678D+01 -0.123714D+01  0.155830D+01  0.228609D+01  0.151478D+01
      3  -0.358075D+01 -0.493015D+01  0.335972D+01 -0.590762D-01  0.298404D+01
               306           307           308           309           310 
      1   0.965849D-01  0.904233D+00 -0.835074D-01 -0.208943D+00 -0.136457D+01
      2  -0.260516D+01 -0.370872D+01 -0.637821D+00  0.271608D+00 -0.709135D+00
      3  -0.111456D+01  0.285383D+01 -0.982251D+00 -0.456467D+00 -0.152401D+01
               311           312           313           314           315 
      1   0.522541D+01  0.579866D+00 -0.595703D-01  0.280377D+01  0.117260D+01
      2  -0.598619D+01 -0.790846D+01 -0.250959D+00 -0.540521D+01 -0.630373D+01
      3   0.161401D+02  0.733171D+01 -0.929042D+00  0.563960D+01  0.588185D+01
               316           317           318           319           320 
      1  -0.271160D+01 -0.106779D+01  0.248861D+01 -0.118909D+01  0.306096D+00
      2   0.236815D+00  0.182106D+01 -0.322657D+01  0.686166D+00 -0.120361D+01
      3  -0.187473D+01 -0.964183D+00 -0.725452D-01  0.272357D+00 -0.153045D+00
               321           322           323           324           325 
      1   0.193480D+01 -0.153242D+01  0.592044D+00  0.672752D+01  0.154929D+01
      2  -0.137879D+01 -0.110367D+01  0.255008D+01 -0.138269D+02 -0.187524D+01
      3   0.170772D+01 -0.199158D+01  0.135080D+01 -0.139280D+01  0.983883D-01
               326           327           328           329           330 
      1   0.145891D+01 -0.128389D+01 -0.282058D+01 -0.996678D+01  0.411087D+00
      2   0.286195D+00  0.179990D+01  0.293179D+01 -0.377550D+00  0.851422D+00
      3   0.102717D+01 -0.889824D+00  0.346186D+00 -0.121819D+02  0.197121D+01
               331           332           333 
      1  -0.302550D+01 -0.271590D+01  0.376276D+00
      2   0.159612D+01  0.196522D+01 -0.744871D+00
      3  -0.885961D+00 -0.264017D+01 -0.614526D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.205645D+02  0.239192D+02 -0.197364D+02  0.292471D+02 -0.320561D+01
      2   0.129270D+02 -0.136298D+02  0.981447D+01 -0.173308D+02  0.307165D+01
      3   0.763743D+01 -0.102894D+02  0.992192D+01 -0.119163D+02  0.133965D+00
      4   0.222077D+02 -0.712326D+01  0.409415D+01 -0.948233D+01 -0.116507D+02
      5  -0.200134D+02  0.535675D+01 -0.817069D+01  0.989769D+01 -0.184752D+02
      6   0.667988D+01 -0.112297D+01 -0.398110D+00 -0.489478D+01 -0.502534D+01
                 6             7             8             9            10 
      1   0.750328D+01 -0.160838D+02  0.533381D+01 -0.390291D+01 -0.201658D+02
      2  -0.468241D+01  0.784118D+01 -0.335675D+01  0.426782D+00  0.125898D+02
      3  -0.282087D+01  0.824267D+01 -0.197706D+01  0.347613D+01  0.757599D+01
      4  -0.160403D+02  0.484387D+01 -0.131168D+02 -0.371239D+01 -0.222913D+02
      5  -0.536726D+01 -0.793826D+01 -0.367470D+01  0.449746D+01  0.198590D+02
      6  -0.663693D+01  0.734993D+00 -0.553036D+01 -0.154981D+01  0.669944D+01
                11            12            13            14            15 
      1  -0.239345D+02  0.196560D+02 -0.292903D+02 -0.361556D+01  0.737127D+01
      2   0.135927D+02 -0.973078D+01  0.173107D+02  0.331752D+01 -0.456667D+01
      3   0.103418D+02 -0.992525D+01  0.119796D+02  0.298045D+00 -0.280460D+01
      4  -0.746369D+01  0.407001D+01 -0.988464D+01  0.115653D+02  0.161116D+02
      5   0.526204D+01 -0.809971D+01  0.979665D+01  0.185628D+02  0.538097D+01
      6   0.119476D+01  0.429184D+00  0.498945D+01 -0.491964D+01 -0.659168D+01
                16            17            18            19            20 
      1   0.159731D+02  0.520267D+01 -0.383142D+01  0.158179D+02  0.131514D+02
      2  -0.774388D+01 -0.324416D+01  0.409992D+00 -0.165356D+02 -0.934175D+01
      3  -0.822921D+01 -0.195851D+01  0.342143D+01  0.717692D+00 -0.380968D+01
      4   0.480614D+01  0.131767D+02  0.372070D+01  0.573990D+01  0.543133D+00
      5  -0.786462D+01  0.369677D+01 -0.453299D+01 -0.114903D+02 -0.330400D+01
      6  -0.707455D+00 -0.551435D+01 -0.155755D+01 -0.797579D+01  0.988276D+00
                21            22            23            24            25 
      1  -0.119101D+02  0.668500D+01  0.203915D+01  0.133389D+01 -0.587432D+01
      2   0.115380D+02 -0.501235D+01 -0.814148D+01  0.949587D+00  0.630456D+01
      3   0.372048D+00 -0.167265D+01  0.610233D+01 -0.228347D+01 -0.430239D+00
      4  -0.122488D+01 -0.190053D-02 -0.117313D+02 -0.173878D+01 -0.146761D+01
      5   0.907982D+01 -0.227136D+01 -0.279083D+01  0.155245D+01  0.611548D+01
      6   0.171925D+01 -0.808316D-01  0.484751D+01  0.418057D+01  0.514584D+00
                26            27            28            29            30 
      1  -0.586231D+00  0.101408D+02 -0.133941D+02 -0.195410D-02  0.244409D-01
      2  -0.136163D+00  0.375782D+01  0.324955D+01 -0.394921D-03 -0.279382D-01
      3   0.722394D+00 -0.138986D+02  0.101445D+02  0.234902D-02  0.349727D-02
      4   0.157438D+00 -0.132213D+01  0.410590D-02 -0.776883D+01 -0.532385D+01
      5  -0.203762D+00  0.644328D+01  0.179840D-01 -0.316583D+01 -0.383901D+01
      6   0.376936D+01  0.219027D+01 -0.277628D+01 -0.100826D-01  0.676369D-02
                31            32            33            34            35 
      1  -0.449740D-02  0.351975D+01 -0.587051D+01  0.169686D-01 -0.831817D+01
      2   0.280326D-02 -0.124679D+02  0.697250D+01 -0.243386D-01  0.907341D+01
      3   0.169414D-02  0.894818D+01 -0.110199D+01  0.737002D-02 -0.755232D+00
      4  -0.887257D+01  0.714817D-02 -0.272495D-01 -0.818290D+01 -0.193973D-01
      5  -0.319211D+01 -0.742313D-02 -0.278904D-02  0.355685D+01 -0.588670D-02
      6  -0.101224D-01  0.371640D+01 -0.398057D+01  0.716515D-02  0.257203D+01
                36            37            38            39            40 
      1   0.102026D+01 -0.601762D+01  0.106065D+01  0.101532D+02  0.653798D+00
      2   0.126157D+01  0.100025D+02 -0.353734D+01 -0.729574D+01  0.287856D+00
      3  -0.228183D+01 -0.398486D+01  0.247668D+01 -0.285745D+01 -0.941654D+00
      4  -0.588019D-02  0.108139D+02  0.671333D+01 -0.862441D+01  0.104445D+02
      5   0.121882D-01  0.233880D+01 -0.118049D+02  0.365155D+01 -0.110534D+02
      6  -0.756381D+00 -0.405953D+01 -0.544240D+01  0.680546D+01 -0.450886D+01
                41            42            43            44            45 
      1  -0.715323D+01 -0.496444D+01  0.930402D+01 -0.536817D+01  0.568897D+01
      2   0.545351D+01 -0.441071D+01 -0.498384D+01 -0.844281D+00  0.160190D+01
      3   0.169972D+01  0.937515D+01 -0.432018D+01  0.621245D+01 -0.729087D+01
      4   0.838123D+01 -0.986864D+01 -0.353839D+01 -0.688218D+01  0.280063D+01
      5  -0.499180D+01  0.379167D+01  0.268330D+01  0.118587D+01  0.758908D+00
      6  -0.355678D+01  0.221210D+01  0.430509D+01  0.480101D+00  0.585151D+01
                46            47            48            49            50 
      1  -0.833349D+01  0.140497D+01 -0.138540D+02  0.145960D+01 -0.536802D+00
      2   0.228890D+01 -0.229521D+01  0.174944D+02 -0.515553D+01 -0.258364D+00
      3   0.604460D+01  0.890241D+00 -0.364042D+01  0.369593D+01  0.795166D+00
      4  -0.125522D+02 -0.893688D+01  0.783689D+01 -0.128984D+02 -0.970808D+01
      5  -0.356261D+01  0.132552D+02 -0.919330D+01  0.133596D+02  0.120652D+02
      6   0.112963D+01  0.149267D+02 -0.964130D+01  0.151082D+02  0.122229D+02
                51            52            53            54            55 
      1   0.622105D+01 -0.167161D+02  0.727351D+01 -0.902834D+01  0.275211D+01
      2   0.641031D+01  0.195596D+02  0.383290D+01  0.482296D+01 -0.278599D+01
      3  -0.126314D+02 -0.284348D+01 -0.111064D+02  0.420538D+01  0.338755D-01
      4   0.198314D+02  0.113254D+02  0.231490D+02 -0.113305D+02  0.345285D+01
      5  -0.212869D+01 -0.140364D+02 -0.467350D+01  0.164408D+01  0.143077D+01
      6  -0.535357D+01 -0.123521D+02 -0.564842D+01  0.233062D+01  0.599298D+01
                56            57            58            59            60 
      1   0.413251D+01  0.111341D+02  0.224997D+01  0.160257D+02  0.322765D+01
      2  -0.618772D+01 -0.198967D+02 -0.109412D+01 -0.239987D+02 -0.134518D+02
      3   0.205521D+01  0.876258D+01 -0.115585D+01  0.797301D+01  0.102242D+02
      4  -0.701281D+01  0.134622D+01 -0.369579D+01 -0.103715D+02 -0.197831D+02
      5  -0.350841D+01 -0.107189D+01 -0.354536D+01 -0.869600D+01 -0.408743D+01
      6  -0.176873D+02  0.348270D+01 -0.172886D+02 -0.190992D+02 -0.119891D+02
                61            62            63            64            65 
      1   0.138500D+02  0.794990D+01  0.106861D+02  0.298396D+01 -0.524029D+01
      2  -0.216271D+02 -0.175137D+02 -0.144095D+02 -0.220302D+01  0.469523D+01
      3   0.777708D+01  0.956376D+01  0.372344D+01 -0.780932D+00  0.545062D+00
      4   0.246360D+01 -0.234210D+02  0.135982D+01  0.718573D+01  0.197059D+01
      5  -0.510172D+00 -0.352752D+01 -0.113840D+01  0.277447D+01 -0.284693D+01
      6   0.406421D+01 -0.180935D+02 -0.101284D+01 -0.660746D+01  0.801662D+01
                66            67            68            69            70 
      1  -0.112659D+01 -0.469460D+01 -0.110900D+02 -0.533567D+01 -0.255011D+01
      2   0.106182D+02  0.912857D+00  0.128013D+02  0.789586D+01  0.101583D+02
      3  -0.949160D+01  0.378174D+01 -0.171127D+01 -0.256019D+01 -0.760817D+01
      4  -0.253158D+01 -0.129579D+01  0.143010D+02  0.119138D+02 -0.302260D+01
      5  -0.243162D+01 -0.202562D+01  0.157115D+01  0.286402D+01 -0.142126D+01
      6   0.505598D-01  0.918789D+01  0.125695D+02  0.741111D+01 -0.164398D+01
                71            72            73            74            75 
      1  -0.282283D+01  0.413865D+00  0.159279D+02 -0.131106D+02  0.118755D+02
      2   0.222315D+01  0.582636D+01 -0.166031D+02  0.932777D+01 -0.115448D+02
      3   0.599681D+00 -0.624023D+01  0.675184D+00  0.378283D+01 -0.330796D+00
      4   0.692250D+01 -0.109680D+01 -0.560655D+01  0.372111D+00 -0.115250D+01
      5   0.156138D+01 -0.510963D+01  0.115291D+02 -0.329002D+01  0.912080D+01
      6   0.402559D+01 -0.375500D+01 -0.792367D+01 -0.104761D+01 -0.172155D+01
                76            77            78            79            80 
      1  -0.662174D+01  0.184593D+01  0.134111D+01  0.588180D+01 -0.601835D+00
      2   0.497195D+01 -0.799571D+01  0.872960D+00 -0.632276D+01 -0.192191D+00
      3   0.164979D+01  0.614978D+01 -0.221407D+01  0.440956D+00  0.794026D+00
      4  -0.124497D+00  0.117704D+02  0.175262D+01 -0.142963D+01 -0.144445D+00
      5  -0.224628D+01  0.276793D+01 -0.150112D+01  0.613553D+01  0.239011D+00
      6   0.223022D-01  0.482337D+01  0.416980D+01 -0.515511D+00  0.375675D+01
                81            82            83            84            85 
      1   0.101852D+02 -0.588530D+01 -0.104066D+01 -0.101174D+02 -0.663006D+00
      2   0.372865D+01  0.990196D+01  0.358806D+01  0.730528D+01 -0.192875D+00
      3  -0.139138D+02 -0.401666D+01 -0.254740D+01  0.281215D+01  0.855880D+00
      4   0.136657D+01 -0.109249D+02  0.673078D+01 -0.874035D+01  0.104450D+02
      5  -0.641988D+01 -0.226333D+01 -0.118676D+02  0.363797D+01 -0.111057D+02
      6   0.221938D+01 -0.409723D+01  0.545074D+01 -0.683090D+01  0.450006D+01
                86            87            88            89            90 
      1  -0.709444D+01 -0.509987D+01 -0.930741D+01 -0.548774D+01  0.565136D+01
      2   0.544519D+01 -0.430190D+01  0.500780D+01 -0.746966D+00  0.155035D+01
      3   0.164925D+01  0.940177D+01  0.429961D+01  0.623471D+01 -0.720171D+01
      4  -0.841049D+01  0.985191D+01 -0.362892D+01  0.686255D+01 -0.278896D+01
      5   0.491233D+01 -0.381748D+01  0.264655D+01 -0.120885D+01 -0.759549D+00
      6  -0.351525D+01  0.214085D+01 -0.432712D+01  0.443308D+00  0.583010D+01
                91            92            93            94            95 
      1  -0.846024D+01 -0.143530D+01  0.137694D+02 -0.143816D+01 -0.646688D+00
      2   0.237309D+01  0.232333D+01 -0.174942D+02  0.511986D+01 -0.190021D+00
      3   0.608715D+01 -0.888033D+00  0.372480D+01 -0.368170D+01  0.836709D+00
      4   0.125955D+02 -0.897567D+01  0.806736D+01 -0.129267D+02  0.971236D+01
      5   0.344914D+01  0.133977D+02 -0.918414D+01  0.134842D+02 -0.119921D+02
      6   0.127310D+01 -0.149510D+02  0.957185D+01 -0.151098D+02  0.120601D+02
                96            97            98            99           100 
      1   0.644959D+01  0.166104D+02  0.754887D+01 -0.906606D+01  0.281942D+01
      2   0.618094D+01 -0.195086D+02  0.355350D+01  0.490766D+01 -0.286905D+01
      3  -0.126305D+02  0.289821D+01 -0.111024D+02  0.415840D+01  0.496273D-01
      4  -0.198055D+02  0.115782D+02 -0.230905D+02  0.111951D+02 -0.338788D+01
      5   0.209978D+01 -0.140348D+02  0.459794D+01 -0.165842D+01 -0.142417D+01
      6  -0.527087D+01  0.122496D+02 -0.554230D+01  0.232848D+01  0.583002D+01
               101           102           103           104           105 
      1  -0.408459D+01 -0.111734D+02 -0.219980D+01  0.158648D+02  0.297720D+01
      2   0.612171D+01  0.199949D+02  0.100975D+01 -0.237435D+02 -0.130962D+02
      3  -0.203712D+01 -0.882151D+01  0.119005D+01  0.787869D+01  0.101190D+02
      4  -0.714794D+01  0.111864D+01 -0.376259D+01  0.103404D+02  0.198528D+02
      5  -0.363368D+01 -0.110394D+01 -0.365954D+01  0.873446D+01  0.415507D+01
      6   0.178139D+02 -0.334234D+01  0.173860D+02 -0.188320D+02 -0.120359D+02
               106           107           108           109           110 
      1  -0.139024D+02  0.769103D+01  0.107053D+02  0.297293D+01  0.527146D+01
      2   0.217304D+02 -0.171706D+02 -0.144762D+02 -0.223180D+01 -0.469966D+01
      3  -0.782802D+01  0.947960D+01  0.377092D+01 -0.741129D+00 -0.571799D+00
      4   0.218775D+01  0.235553D+02 -0.115941D+01 -0.715427D+01  0.203302D+01
      5  -0.531191D+00  0.364610D+01  0.116681D+01 -0.275136D+01 -0.281091D+01
      6  -0.388986D+01 -0.181898D+02 -0.108799D+01 -0.652831D+01 -0.810299D+01
               111           112           113           114           115 
      1   0.115702D+01  0.475203D+01 -0.108995D+02 -0.523731D+01  0.258307D+01
      2  -0.106559D+02 -0.957710D+00  0.125856D+02  0.771944D+01 -0.101808D+02
      3   0.949892D+01 -0.379432D+01 -0.168612D+01 -0.248212D+01  0.759778D+01
      4  -0.241676D+01 -0.125304D+01 -0.143611D+02 -0.119595D+02 -0.292833D+01
      5  -0.240007D+01 -0.199421D+01 -0.162406D+01 -0.290577D+01 -0.140344D+01
      6  -0.113174D+00 -0.925882D+01  0.124823D+02  0.743301D+01  0.159268D+01
               116           117           118           119           120 
      1  -0.277593D+01  0.396823D+00  0.323100D+02 -0.259819D+01  0.106320D+02
      2   0.211211D+01  0.588672D+01 -0.184223D+02  0.538031D+01 -0.750880D+01
      3   0.663819D+00 -0.628355D+01 -0.138878D+02 -0.278212D+01 -0.312322D+01
      4  -0.696763D+01  0.103709D+01  0.161992D+02  0.753369D+01  0.338386D+01
      5  -0.159124D+01  0.511346D+01  0.108136D+02 -0.179891D+01  0.943070D+01
      6   0.407467D+01 -0.370332D+01  0.525778D+01 -0.643817D+00  0.523419D+01
               121           122           123           124           125 
      1  -0.813955D+01  0.653368D+01 -0.417579D+01  0.167983D+02 -0.330031D+01
      2   0.739727D+01 -0.572493D+01  0.289426D+01 -0.124419D+02  0.494382D+01
      3   0.742275D+00 -0.808746D+00  0.128152D+01 -0.435642D+01 -0.164351D+01
      4   0.390821D+01 -0.232298D+00  0.394870D+00  0.720024D+01  0.244906D+01
      5  -0.325818D+01  0.258880D+01 -0.231447D+01  0.134854D+02  0.159735D-01
      6  -0.155320D+01  0.747405D+00  0.353826D+00  0.787557D+01  0.194560D+01
               126           127           128           129           130 
      1   0.943890D+01  0.146418D+02  0.689247D+01 -0.385772D+01  0.224491D+01
      2  -0.793532D+01 -0.242572D+00  0.433016D+01 -0.585113D+00  0.101902D+02
      3  -0.150358D+01 -0.143992D+02 -0.112226D+02  0.444283D+01 -0.124351D+02
      4   0.567445D+01  0.284897D+02  0.228505D+02 -0.121427D+02  0.243229D+02
      5   0.128889D+02 -0.112781D+02 -0.903077D+01  0.987281D+01 -0.841562D+01
      6   0.812545D+01 -0.108348D+02 -0.911090D+01  0.818056D+01 -0.112537D+02
               131           132           133           134           135 
      1  -0.639047D+01  0.159332D+01 -0.227546D+01  0.170325D+01 -0.379740D-01
      2   0.234965D+02 -0.727909D+01 -0.260532D+01 -0.761765D+01  0.189849D+01
      3  -0.171060D+02  0.568577D+01  0.488078D+01  0.591441D+01 -0.186051D+01
      4   0.317126D+02 -0.138382D+02 -0.178661D+02 -0.186383D+02  0.168132D+02
      5  -0.111184D+02  0.766505D+01  0.147462D+02  0.119564D+02 -0.152577D+02
      6  -0.168034D+02  0.122626D+02  0.141621D+02  0.164669D+02 -0.177526D+02
               136           137           138           139           140 
      1  -0.561310D+01  0.824804D+01 -0.389505D+01  0.469989D+01 -0.160526D+02
      2   0.853618D+01 -0.147635D+02  0.629534D+01 -0.788487D+01  0.268312D+02
      3  -0.292309D+01  0.651541D+01 -0.240029D+01  0.318498D+01 -0.107787D+02
      4  -0.151808D+02  0.853483D+01 -0.636433D+01  0.645453D+01 -0.483966D+01
      5   0.148459D+01 -0.434966D+00  0.158816D+01 -0.453429D+00  0.824860D+00
      6  -0.782560D+01  0.667510D+01 -0.742898D+01  0.445919D+01 -0.741096D+01
               141           142           143           144           145 
      1   0.465798D+01 -0.638576D+01  0.938755D+01 -0.880804D+01 -0.178899D+01
      2  -0.650438D+01  0.691357D+01 -0.133846D+02  0.974769D+01  0.808920D+01
      3   0.184640D+01 -0.527814D+00  0.399703D+01 -0.939648D+00 -0.630022D+01
      4   0.367805D+01 -0.860294D+01  0.574774D+01 -0.504341D+01  0.119592D+02
      5   0.372944D+00  0.179819D+01  0.617606D+00 -0.236989D+00  0.332380D+01
      6   0.822142D+01 -0.711172D+01  0.143173D+02 -0.159953D+02  0.548373D+01
               146           147           148           149           150 
      1  -0.237680D+01 -0.166320D+01 -0.379559D+01 -0.316197D+02 -0.109068D+02
      2   0.107303D+02  0.442760D+01  0.107097D+02  0.586502D+02  0.179040D+02
      3  -0.835351D+01 -0.276440D+01 -0.691406D+01 -0.270305D+02 -0.699721D+01
      4   0.182305D+02  0.623814D+01  0.130606D+02  0.247811D+02  0.907419D+01
      5   0.515316D+01  0.445788D+01  0.311546D+01  0.860540D+01  0.489512D+01
      6   0.765701D+01  0.439098D+01  0.701981D+01  0.258427D+02  0.164991D+02
               151           152           153           154           155 
      1  -0.297261D+01 -0.166799D+02 -0.125104D+02 -0.569623D+01 -0.830357D+01
      2   0.578655D+01  0.249475D+02  0.151378D+02  0.860496D+01  0.148208D+02
      3  -0.281394D+01 -0.826764D+01 -0.262743D+01 -0.290873D+01 -0.651723D+01
      4   0.667784D+01  0.143187D+02  0.872066D+01  0.150714D+02  0.851515D+01
      5   0.442731D+01  0.787359D+01  0.699311D+01 -0.143291D+01 -0.404902D+00
      6   0.579718D+01  0.256544D+02  0.203378D+02 -0.776123D+01 -0.666579D+01
               156           157           158           159           160 
      1   0.391697D+01 -0.473659D+01 -0.162152D+02  0.471818D+01  0.640788D+01
      2  -0.631828D+01  0.791556D+01  0.271080D+02 -0.660487D+01 -0.693682D+01
      3   0.240130D+01 -0.317897D+01 -0.108929D+02  0.188670D+01  0.528937D+00
      4  -0.629040D+01  0.646013D+01  0.477397D+01 -0.364969D+01 -0.850544D+01
      5   0.155021D+01 -0.436797D+00 -0.794940D+00 -0.401157D+00  0.176398D+01
      6   0.737189D+01 -0.445539D+01 -0.749545D+01  0.825843D+01  0.703531D+01
               161           162           163           164           165 
      1   0.947581D+01 -0.883411D+01 -0.171448D+01  0.235844D+01  0.166765D+01
      2  -0.135143D+02  0.981373D+01  0.806278D+01 -0.107792D+02 -0.446521D+01
      3   0.403848D+01 -0.979620D+00 -0.634830D+01  0.842076D+01  0.279755D+01
      4  -0.569117D+01  0.494969D+01 -0.121380D+02  0.183341D+02  0.632709D+01
      5  -0.673283D+00  0.302415D+00 -0.340220D+01  0.522881D+01  0.452211D+01
      6   0.143514D+02 -0.159505D+02  0.555508D+01 -0.775641D+01 -0.447935D+01
               166           167           168           169           170 
      1   0.379775D+01 -0.312921D+02 -0.108325D+02  0.299174D+01 -0.165767D+02
      2  -0.107655D+02  0.581232D+02  0.178045D+02 -0.583627D+01  0.248116D+02
      3   0.696778D+01 -0.268310D+02 -0.697200D+01  0.284452D+01 -0.823493D+01
      4   0.131546D+02 -0.249386D+02 -0.918163D+01  0.679976D+01 -0.144875D+02
      5   0.317738D+01 -0.868854D+01 -0.495555D+01  0.450580D+01 -0.798740D+01
      6  -0.711261D+01  0.257755D+02  0.164923D+02 -0.592412D+01  0.256587D+02
               171           172           173           174           175 
      1  -0.124723D+02  0.324119D+02  0.268160D+01 -0.106254D+02  0.824068D+01
      2   0.150668D+02 -0.185207D+02 -0.540371D+01  0.751979D+01 -0.744007D+01
      3  -0.259451D+01 -0.138911D+02  0.272211D+01  0.310559D+01 -0.800604D+00
      4  -0.887352D+01 -0.160221D+02  0.749897D+01  0.329506D+01  0.390960D+01
      5  -0.712046D+01 -0.107911D+02 -0.185186D+01  0.941855D+01 -0.330282D+01
      6   0.204230D+02  0.519411D+01  0.661123D+00 -0.517933D+01  0.156740D+01
               176           177           178           179           180 
      1   0.660685D+01 -0.421748D+01 -0.168111D+02 -0.336753D+01  0.946614D+01
      2  -0.580514D+01  0.292078D+01  0.124704D+02  0.498096D+01 -0.797177D+01
      3  -0.801710D+00  0.129669D+01  0.434061D+01 -0.161343D+01 -0.149437D+01
      4   0.354892D+00 -0.407101D+00  0.704579D+01 -0.243726D+01 -0.557217D+01
      5  -0.262143D+01  0.235815D+01  0.134871D+02  0.557490D-01 -0.128852D+02
      6   0.735828D+00  0.334876D+00 -0.780657D+01  0.190302D+01  0.804794D+01
               181           182           183           184           185 
      1   0.149010D+02 -0.698445D+01  0.394025D+01 -0.234363D+01 -0.619393D+01
      2  -0.384925D+00 -0.427500D+01  0.531110D+00 -0.101235D+02  0.232560D+02
      3  -0.145160D+02  0.112595D+02 -0.447136D+01  0.124671D+02 -0.170621D+02
      4  -0.286435D+02  0.228918D+02 -0.121859D+02  0.243858D+02 -0.316907D+02
      5   0.113759D+02 -0.906606D+01  0.991787D+01 -0.845051D+01  0.111027D+02
      6  -0.108691D+02  0.910237D+01 -0.818110D+01  0.112354D+02 -0.166755D+02
               186           187           188           189           190 
      1   0.150076D+01  0.239078D+01  0.156737D+01  0.807371D-01  0.193223D+02
      2  -0.717172D+01  0.250966D+01 -0.746471D+01  0.178784D+01 -0.156935D+02
      3   0.567095D+01 -0.490044D+01  0.589734D+01 -0.186858D+01 -0.362880D+01
      4   0.138131D+02 -0.179121D+02  0.185865D+02 -0.167951D+02  0.151730D+01
      5  -0.766519D+01  0.148122D+02 -0.119454D+02  0.152894D+02  0.145767D+02
      6   0.121911D+02 -0.141418D+02  0.163533D+02 -0.176625D+02  0.792365D+00
               191           192           193           194           195 
      1   0.495266D+01  0.704934D+01  0.745174D+01  0.541161D+01  0.356703D+01
      2  -0.658186D+01 -0.865810D+01 -0.822831D+01 -0.592395D+01 -0.571433D+01
      3   0.162920D+01  0.160876D+01  0.776567D+00  0.512337D+00  0.214729D+01
      4   0.576382D+01  0.175929D+01  0.788707D+00  0.753476D+01  0.281584D+00
      5   0.458156D+01  0.990343D+01  0.105879D+02  0.261828D+01  0.716973D+01
      6   0.137852D+01 -0.326264D+00  0.710047D+00  0.288060D+01  0.166091D+00
               196           197           198           199           200 
      1   0.336277D+01  0.131485D+01  0.189456D+01 -0.281708D+01 -0.214263D+01
      2  -0.663644D+01 -0.205527D+01 -0.750423D+01 -0.131950D+01  0.119585D+01
      3   0.327367D+01  0.740429D+00  0.560967D+01  0.413659D+01  0.946783D+00
      4   0.327607D+01 -0.833614D-01  0.220965D+01  0.609484D+01 -0.292282D+01
      5   0.738079D+01  0.375464D+01  0.826433D+01 -0.237192D+01  0.234886D+01
      6   0.487775D+00  0.130385D+01 -0.556535D+00  0.992398D-01 -0.310436D+01
               201           202           203           204           205 
      1   0.664463D+01 -0.494223D+00 -0.470979D+01  0.600277D+01  0.266328D+01
      2   0.875030D+00 -0.523008D+00  0.201770D+01 -0.976041D+00 -0.142480D+01
      3  -0.751966D+01  0.101723D+01  0.269209D+01 -0.502673D+01 -0.123848D+01
      4   0.614560D+00  0.131142D+01 -0.167875D+01  0.389944D+00 -0.266746D+01
      5  -0.423418D+00  0.535447D+00  0.904179D+00 -0.160111D+01  0.403761D+01
      6   0.544252D+01 -0.664720D+00 -0.582141D+01  0.817955D+01 -0.110828D+00
               206           207           208           209           210 
      1   0.523207D+01 -0.170818D+02 -0.568109D-02 -0.727555D+01 -0.420828D+01
      2  -0.158771D+00 -0.108305D+02 -0.243161D+00  0.918125D+01  0.186778D+01
      3  -0.507329D+01  0.279123D+02  0.248842D+00 -0.190570D+01  0.234050D+01
      4   0.259276D+01  0.581772D+00  0.166967D+02  0.685793D+01  0.745745D+01
      5  -0.202745D+01  0.106774D+02  0.882397D+01  0.512621D+01  0.522331D+01
      6   0.695374D+01 -0.164482D+02  0.891154D+01  0.106691D+02  0.953627D+01
               211           212           213           214           215 
      1  -0.215399D+01 -0.245883D+01 -0.139365D+01 -0.173986D+01 -0.849935D+00
      2   0.294573D+01  0.604151D+01  0.956035D+00 -0.475107D+00 -0.179347D+01
      3  -0.791737D+00 -0.358268D+01  0.437611D+00  0.221496D+01  0.264341D+01
      4   0.743633D+01  0.763716D+01  0.465671D+01  0.424845D+01  0.425892D+01
      5   0.288742D+01  0.291452D+01  0.236235D+01  0.441033D+01  0.209643D+01
      6   0.526670D+01  0.424633D+01  0.479901D+01  0.533642D+01  0.444568D+01
               216           217           218           219           220 
      1  -0.364813D+01 -0.570821D+00  0.313918D+01  0.220795D+01  0.158669D+00
      2  -0.197299D+01 -0.333163D+01 -0.422867D+01  0.577821D+01 -0.126624D+01
      3   0.562113D+01  0.390245D+01  0.108949D+01 -0.798616D+01  0.110757D+01
      4   0.518167D+01 -0.349248D+01  0.405802D+01  0.432785D+01  0.381960D+00
      5   0.352892D+01 -0.479575D+01  0.178724D+01  0.785829D+01  0.524108D+00
      6   0.789647D+01  0.439469D+01 -0.287872D+01 -0.656124D+01 -0.245788D-02
               221           222           223           224           225 
      1   0.305134D+01  0.165055D+01  0.156342D+01 -0.428113D+01 -0.113265D+02
      2  -0.605468D+01  0.194944D+01  0.355843D+01  0.273661D+01 -0.153780D+02
      3   0.300334D+01 -0.359999D+01 -0.512185D+01  0.154452D+01  0.267044D+02
      4   0.185833D+01  0.783114D+00  0.344410D+01 -0.158304D+01 -0.252115D+01
      5  -0.132785D+01  0.731337D+00  0.541621D+01 -0.953005D+00 -0.931366D+01
      6  -0.223378D+01  0.469881D+00 -0.306454D+01  0.587926D+01  0.177820D+02
               226           227           228           229           230 
      1  -0.103801D+01 -0.322890D+00 -0.154362D+01 -0.513570D+01 -0.109320D+02
      2   0.466283D+01 -0.229501D+01  0.194739D+01  0.117154D+01  0.200010D+02
      3  -0.362482D+01  0.261790D+01 -0.403767D+00  0.396417D+01 -0.906893D+01
      4  -0.280663D+01  0.515828D+01  0.436693D+00  0.768148D+01 -0.202653D+02
      5  -0.194392D+01 -0.190688D+00 -0.470985D+00 -0.445323D+01  0.272260D+01
      6   0.593705D+00  0.328169D+00 -0.151937D+00  0.329263D+01 -0.117327D+02
               231           232           233           234           235 
      1   0.157958D+01 -0.557439D+01  0.226866D+01 -0.423226D+01 -0.311645D+01
      2  -0.221703D+00  0.395202D+01  0.646592D+00  0.240525D+01  0.341942D+00
      3  -0.135788D+01  0.162238D+01 -0.291526D+01  0.182701D+01  0.277451D+01
      4   0.378361D+01  0.184579D+01 -0.209568D+01 -0.189826D+01  0.125396D+01
      5  -0.431599D+01 -0.172461D+01 -0.176126D+01 -0.184023D+00 -0.243403D+00
      6   0.502072D+01  0.214212D+00  0.246110D+01 -0.181932D+01  0.153046D+01
               236           237           238           239           240 
      1   0.118019D+01  0.309443D+01  0.400344D+01 -0.342756D+01  0.119720D+01
      2  -0.170990D+01  0.121869D+01 -0.390543D+01  0.666482D+00 -0.328412D+01
      3   0.529707D+00 -0.431312D+01 -0.980132D-01  0.276108D+01  0.208692D+01
      4  -0.658034D+00  0.273600D+00  0.604324D+00 -0.859021D+00  0.222041D+01
      5   0.147424D+01  0.150917D+01  0.205931D+01  0.147677D+01  0.171181D+01
      6  -0.629165D+00  0.175655D+01 -0.124022D-01 -0.192835D+01  0.432268D+01
               241           242           243           244           245 
      1   0.370042D+01  0.350460D+01 -0.195185D+02  0.728508D-01  0.724240D+01
      2  -0.522764D+01  0.604236D+00 -0.152890D+02 -0.315968D+00 -0.916374D+01
      3   0.152722D+01 -0.410883D+01  0.348075D+02  0.243117D+00  0.192134D+01
      4  -0.154634D+01  0.332481D+01 -0.239931D+01 -0.167565D+02  0.688917D+01
      5   0.650063D+01 -0.346004D+01  0.203517D+02 -0.888365D+01  0.514762D+01
      6  -0.127048D+01  0.513055D+01 -0.948768D+01  0.895384D+01 -0.106430D+02
               246           247           248           249           250 
      1   0.417069D+01  0.211387D+01 -0.238059D+01 -0.135254D+01  0.172276D+01
      2  -0.182456D+01 -0.291708D+01  0.594561D+01  0.916548D+00  0.505628D+00
      3  -0.234613D+01  0.803214D+00 -0.356501D+01  0.435993D+00 -0.222838D+01
      4   0.750933D+01  0.741841D+01 -0.762162D+01 -0.464366D+01  0.427999D+01
      5   0.527776D+01  0.288731D+01 -0.289905D+01 -0.235648D+01  0.444473D+01
      6  -0.954662D+01 -0.524357D+01  0.418536D+01  0.477132D+01 -0.534555D+01
               251           252           253           254           255 
      1  -0.827301D+00 -0.362650D+01 -0.581311D+00 -0.318803D+01 -0.224744D+01
      2  -0.181753D+01 -0.200213D+01 -0.333394D+01  0.426711D+01 -0.576043D+01
      3   0.264483D+01  0.562863D+01  0.391525D+01 -0.107908D+01  0.800787D+01
      4  -0.424393D+01 -0.519188D+01  0.350007D+01  0.405878D+01  0.436334D+01
      5  -0.209817D+01 -0.356165D+01  0.479041D+01  0.179877D+01  0.785545D+01
      6   0.444246D+01  0.791129D+01  0.441970D+01  0.292070D+01  0.661733D+01
               256           257           258           259           260 
      1  -0.177662D+00  0.305628D+01  0.163612D+01 -0.157666D+01 -0.431232D+01
      2   0.128194D+01 -0.604596D+01  0.191197D+01 -0.355531D+01  0.272634D+01
      3  -0.110427D+01  0.298968D+01 -0.354810D+01  0.513197D+01  0.158598D+01
      4   0.401190D+00 -0.179957D+01 -0.765255D+00  0.346202D+01  0.158044D+01
      5   0.536800D+00  0.134552D+01 -0.699774D+00  0.541129D+01  0.963717D+00
      6   0.318230D-01 -0.220138D+01  0.505287D+00  0.308277D+01  0.591931D+01
               261           262           263           264           265 
      1  -0.113451D+02  0.194534D+02 -0.497837D+01 -0.706503D+01 -0.745202D+01
      2  -0.153285D+02 -0.157715D+02  0.659953D+01  0.865535D+01  0.820738D+01
      3   0.266736D+02 -0.368196D+01 -0.162116D+01 -0.159032D+01 -0.755358D+00
      4   0.256320D+01 -0.144899D+01  0.576791D+01  0.170881D+01  0.761455D+00
      5   0.927515D+01 -0.146024D+02  0.454341D+01  0.988210D+01  0.105445D+02
      6   0.178542D+02  0.763815D+00 -0.137637D+01  0.354310D+00 -0.688626D+00
               266           267           268           269           270 
      1   0.542958D+01  0.354876D+01 -0.336377D+01  0.130010D+01  0.190972D+01
      2  -0.589979D+01 -0.566232D+01  0.661704D+01 -0.200924D+01 -0.746138D+01
      3   0.470211D+00  0.211355D+01 -0.325327D+01  0.709144D+00  0.555167D+01
      4  -0.749981D+01 -0.227407D+00  0.325772D+01  0.127613D+00 -0.217807D+01
      5  -0.254976D+01 -0.710945D+01  0.734210D+01 -0.372326D+01 -0.819097D+01
      6   0.286735D+01  0.128515D+00 -0.472830D+00  0.127756D+01 -0.566870D+00
               271           272           273           274           275 
      1  -0.276950D+01  0.213420D+01 -0.664054D+01  0.471827D+00 -0.468002D+01
      2  -0.136966D+01 -0.121698D+01 -0.872949D+00  0.524935D+00  0.199794D+01
      3   0.413915D+01 -0.917219D+00  0.751349D+01 -0.996762D+00  0.268208D+01
      4  -0.608239D+01 -0.293296D+01  0.600311D+00  0.128369D+01  0.165234D+01
      5   0.234883D+01  0.235169D+01 -0.408320D+00  0.548016D+00 -0.884657D+00
      6   0.109484D+00  0.310353D+01 -0.543227D+01  0.670202D+00 -0.577265D+01
               276           277           278           279           280 
      1   0.594266D+01 -0.264771D+01  0.520387D+01 -0.170802D+02  0.643969D+01
      2  -0.978034D+00  0.142257D+01 -0.170902D+00 -0.109095D+02 -0.341565D+01
      3  -0.496463D+01  0.122514D+01 -0.503297D+01  0.279897D+02 -0.302403D+01
      4  -0.379493D+00 -0.268344D+01 -0.260898D+01 -0.595314D+00  0.541769D+01
      5   0.157057D+01  0.405079D+01  0.202470D+01 -0.107046D+02  0.812122D+01
      6   0.812697D+01  0.130582D+00  0.693278D+01 -0.164558D+02  0.247611D+01
               281           282           283           284           285 
      1   0.433281D+01  0.677625D+01  0.773642D+01 -0.667600D+00 -0.229828D+01
      2  -0.177131D+01 -0.369823D+01 -0.386176D+01  0.385067D+01 -0.181871D+00
      3  -0.256150D+01 -0.307803D+01 -0.387466D+01 -0.318307D+01  0.248015D+01
      4   0.525361D+01  0.199263D+01  0.116587D+02  0.247818D+02  0.122798D+02
      5   0.271499D+01  0.505510D+01  0.602049D+01  0.130171D+02  0.140395D+02
      6   0.880245D+00  0.767801D+00  0.423342D+01  0.121028D+02  0.820114D+01
               286           287           288           289           290 
      1   0.771578D+01 -0.217519D+01 -0.101697D+01  0.639609D+02 -0.161203D+02
      2  -0.581896D+01 -0.902891D+00 -0.372699D+01 -0.349911D+02  0.777848D+01
      3  -0.189682D+01  0.307808D+01  0.474396D+01 -0.289699D+02  0.834182D+01
      4   0.340458D+01  0.854443D+01  0.922545D+01 -0.213061D+02  0.131428D+02
      5   0.851345D+01  0.967041D+01  0.135718D+02  0.268551D+02 -0.724936D+01
      6   0.218312D+01  0.736901D+01  0.709160D+01 -0.472174D+01  0.300040D+01
               291           292           293           294           295 
      1   0.164378D+02 -0.246811D+02  0.127836D+02 -0.650628D+01  0.147782D+02
      2  -0.105896D+02  0.121019D+02 -0.526576D+01  0.441550D+01 -0.115808D+02
      3  -0.584821D+01  0.125791D+02 -0.751788D+01  0.209078D+01 -0.319731D+01
      4  -0.623675D+01  0.205000D+02 -0.137922D+02  0.899829D+01 -0.591561D+01
      5   0.166383D+02 -0.119097D+02  0.100330D+02 -0.749040D+01  0.209005D+02
      6  -0.195814D+01  0.560793D+01 -0.362850D+01  0.443696D+01 -0.319266D+01
               296           297           298           299           300 
      1  -0.367253D+01  0.117648D+02  0.636964D+02  0.162445D+02 -0.163148D+02
      2   0.330981D+01 -0.957838D+01 -0.347388D+02 -0.779324D+01  0.104772D+02
      3   0.362728D+00 -0.218641D+01 -0.289576D+02 -0.845125D+01  0.583761D+01
      4   0.578874D+01 -0.578259D+01  0.215902D+02  0.132878D+02 -0.627610D+01
      5  -0.610845D+01  0.129716D+02 -0.266570D+02 -0.726709D+01  0.165326D+02
      6   0.373413D+01 -0.284840D+01 -0.476917D+01 -0.302186D+01  0.199024D+01
               301           302           303           304           305 
      1   0.247851D+02  0.128801D+02 -0.648313D+01 -0.146480D+02 -0.366217D+01
      2  -0.120749D+02 -0.524121D+01  0.437234D+01  0.114562D+02  0.329111D+01
      3  -0.127102D+02 -0.763889D+01  0.211079D+01  0.319176D+01  0.371060D+00
      4   0.207182D+02  0.140293D+02 -0.904766D+01 -0.596192D+01 -0.582537D+01
      5  -0.119124D+02 -0.100719D+02  0.752152D+01  0.207842D+02  0.615390D+01
      6  -0.564446D+01 -0.369018D+01  0.445671D+01  0.324453D+01  0.376141D+01
               306           307           308           309           310 
      1   0.116879D+02  0.655891D+01 -0.436261D+01 -0.678217D+01 -0.783594D+01
      2  -0.948490D+01 -0.347664D+01  0.179494D+01  0.371407D+01  0.393361D+01
      3  -0.220302D+01 -0.308227D+01  0.256767D+01  0.306810D+01  0.390233D+01
      4   0.584993D+01 -0.546970D+01  0.534648D+01  0.202861D+01  0.117531D+02
      5  -0.128622D+02 -0.817306D+01  0.276906D+01  0.512833D+01  0.608454D+01
      6  -0.288264D+01  0.247078D+01 -0.921572D+00 -0.799479D+00 -0.426308D+01
               311           312           313           314           315 
      1  -0.455697D+00 -0.218584D+01 -0.774267D+01 -0.209527D+01 -0.920201D+00
      2   0.366232D+01 -0.270954D+00  0.584740D+01 -0.961604D+00 -0.379072D+01
      3  -0.320662D+01  0.245679D+01  0.189527D+01  0.305687D+01  0.471093D+01
      4  -0.247817D+02 -0.122914D+02  0.341714D+01 -0.855565D+01 -0.923011D+01
      5  -0.130421D+02 -0.140649D+02  0.856873D+01 -0.968408D+01 -0.135972D+02
      6   0.120128D+02  0.812871D+01 -0.220088D+01  0.732080D+01  0.703024D+01
               316           317           318           319           320 
      1  -0.307190D+01 -0.118542D+01 -0.308234D+01 -0.402692D+01 -0.344427D+01
      2   0.305183D+00  0.170260D+01 -0.119786D+01  0.392940D+01  0.686423D+00
      3   0.276672D+01 -0.517178D+00  0.428020D+01  0.975264D-01  0.275785D+01
      4  -0.126769D+01 -0.674050D+00  0.273703D+00  0.565579D+00  0.829402D+00
      5   0.214206D+00  0.147553D+01  0.153935D+01  0.208202D+01 -0.145708D+01
      6   0.153840D+01  0.635149D+00 -0.175075D+01  0.311402D-01 -0.190549D+01
               321           322           323           324           325 
      1   0.116575D+01 -0.368881D+01  0.347364D+01 -0.195131D+02 -0.109381D+01
      2  -0.332143D+01  0.523121D+01  0.590467D+00 -0.153144D+02  0.469163D+01
      3   0.215567D+01 -0.154240D+01 -0.406411D+01  0.348276D+02 -0.359781D+01
      4  -0.220509D+01 -0.156453D+01 -0.332085D+01  0.236729D+01  0.274052D+01
      5  -0.176380D+01  0.650996D+01  0.344562D+01 -0.203817D+02  0.195141D+01
      6   0.429573D+01  0.128063D+01  0.512485D+01 -0.949657D+01  0.600020D+00
               326           327           328           329           330 
      1   0.337970D+00  0.153344D+01  0.513427D+01 -0.110844D+02  0.163064D+01
      2   0.224484D+01 -0.194648D+01 -0.119298D+01  0.201439D+02 -0.278950D+00
      3  -0.258281D+01  0.413041D+00 -0.394129D+01 -0.905950D+01 -0.135169D+01
      4   0.507709D+01  0.452467D+00  0.764655D+01  0.202075D+02 -0.380992D+01
      5  -0.180289D+00 -0.476812D+00 -0.444257D+01 -0.273456D+01  0.430676D+01
      6  -0.286020D+00  0.134404D+00 -0.327513D+01 -0.118054D+02  0.506580D+01
               331           332           333 
      1   0.554728D+01  0.228590D+01 -0.424905D+01
      2  -0.394066D+01  0.627855D+00  0.240760D+01
      3  -0.160661D+01 -0.291376D+01  0.184146D+01
      4   0.185972D+01  0.206987D+01  0.188013D+01
      5  -0.171178D+01  0.174987D+01  0.162843D+00
      6  -0.222065D+00  0.248712D+01 -0.183911D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 19:07:38 2021, MaxMem= 10737418240 cpu:           84360.2 elap:            5280.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -15.08854 -15.08852 -15.08850 -15.08847 -15.08841
 Alpha  occ. eigenvalues --  -15.08836 -10.88448 -10.88447 -10.88420 -10.88419
 Alpha  occ. eigenvalues --  -10.88402 -10.88374  -3.89489  -2.63002  -2.62996
 Alpha  occ. eigenvalues --   -2.62534  -1.49994  -1.48759  -1.48736  -1.45824
 Alpha  occ. eigenvalues --   -1.45803  -1.45720  -1.28250  -1.27959  -1.27943
 Alpha  occ. eigenvalues --   -1.16202  -1.15664  -1.15582  -1.08732  -1.08607
 Alpha  occ. eigenvalues --   -1.07799  -1.06515  -1.06460  -1.06290  -1.05380
 Alpha  occ. eigenvalues --   -1.05143  -1.04470  -0.98446  -0.98399  -0.97820
 Alpha  occ. eigenvalues --   -0.97214  -0.96981  -0.96809  -0.94760  -0.93603
 Alpha  occ. eigenvalues --   -0.93546  -0.89654  -0.89509  -0.88408  -0.88253
 Alpha  occ. eigenvalues --   -0.88196  -0.87275  -0.85024  -0.84936  -0.84863
 Alpha  occ. eigenvalues --   -0.83878  -0.83353  -0.83267
 Alpha virt. eigenvalues --   -0.38586  -0.38546  -0.35023  -0.34053  -0.32461
 Alpha virt. eigenvalues --   -0.32264  -0.28871  -0.28611  -0.28579  -0.27046
 Alpha virt. eigenvalues --   -0.26589  -0.24695  -0.24630  -0.24056  -0.23710
 Alpha virt. eigenvalues --   -0.23640  -0.23368  -0.22872  -0.22072  -0.21804
 Alpha virt. eigenvalues --   -0.21188  -0.19653  -0.18959  -0.18938  -0.18689
 Alpha virt. eigenvalues --   -0.18294  -0.17738  -0.17318  -0.17034  -0.16505
 Alpha virt. eigenvalues --   -0.16191  -0.15385  -0.15266  -0.14641  -0.14576
 Alpha virt. eigenvalues --   -0.14381  -0.14060  -0.13392  -0.13181  -0.12622
 Alpha virt. eigenvalues --   -0.12181  -0.11619  -0.11300  -0.10891  -0.10627
 Alpha virt. eigenvalues --   -0.10077  -0.09000  -0.08754  -0.08481  -0.08263
 Alpha virt. eigenvalues --   -0.07803  -0.07502  -0.07102  -0.06245  -0.05810
 Alpha virt. eigenvalues --   -0.04714  -0.04377  -0.03976  -0.03666  -0.03588
 Alpha virt. eigenvalues --   -0.03118  -0.02783  -0.01966  -0.01470  -0.00989
 Alpha virt. eigenvalues --   -0.00432  -0.00133  -0.00047   0.00056   0.01019
 Alpha virt. eigenvalues --    0.01218   0.01784   0.01899   0.02330   0.02402
 Alpha virt. eigenvalues --    0.02935   0.03328   0.03512   0.03867   0.04203
 Alpha virt. eigenvalues --    0.04485   0.04820   0.04974   0.05759   0.05967
 Alpha virt. eigenvalues --    0.06259   0.06551   0.06698   0.06758   0.07100
 Alpha virt. eigenvalues --    0.07873   0.08228   0.08548   0.08825   0.09333
 Alpha virt. eigenvalues --    0.09387   0.10014   0.10018   0.10555   0.10647
 Alpha virt. eigenvalues --    0.12332   0.12415   0.12782   0.13435   0.13546
 Alpha virt. eigenvalues --    0.13870   0.14186   0.14508   0.15625   0.15785
 Alpha virt. eigenvalues --    0.16155   0.16356   0.16805   0.16971   0.17540
 Alpha virt. eigenvalues --    0.17578   0.18374   0.18549   0.18623   0.19038
 Alpha virt. eigenvalues --    0.19416   0.19684   0.19907   0.20258   0.20330
 Alpha virt. eigenvalues --    0.21193   0.21359   0.21720   0.21881   0.22486
 Alpha virt. eigenvalues --    0.22823   0.22835   0.23620   0.24251   0.24490
 Alpha virt. eigenvalues --    0.25128   0.25538   0.25686   0.26575   0.27117
 Alpha virt. eigenvalues --    0.27301   0.27849   0.28179   0.29148   0.29218
 Alpha virt. eigenvalues --    0.29938   0.30356   0.30369   0.30826   0.32370
 Alpha virt. eigenvalues --    0.32824   0.33250   0.33499   0.34259   0.34895
 Alpha virt. eigenvalues --    0.35778   0.37070   0.37201   0.37486   0.37542
 Alpha virt. eigenvalues --    0.38232   0.38899   0.39086   0.40128   0.40368
 Alpha virt. eigenvalues --    0.40641   0.41448   0.42801   0.43106   0.43657
 Alpha virt. eigenvalues --    0.44263   0.45497   0.46056   0.46620   0.46781
 Alpha virt. eigenvalues --    0.47789   0.49505   0.49725   0.50457   0.52221
 Alpha virt. eigenvalues --    0.52615   0.52847   0.54229   0.54745   0.57226
 Alpha virt. eigenvalues --    0.57923   0.59692   0.60784   0.61528   0.62268
 Alpha virt. eigenvalues --    0.63786   0.64094   0.65975   0.66386   0.66751
 Alpha virt. eigenvalues --    0.67130   0.68808   0.69303   0.69366   0.69799
 Alpha virt. eigenvalues --    0.69869   0.70812   0.71247   0.72217   0.72371
 Alpha virt. eigenvalues --    0.72826   0.73531   0.74315   0.75007   0.75320
 Alpha virt. eigenvalues --    0.75653   0.76499   0.77068   0.79014   0.80120
 Alpha virt. eigenvalues --    0.81537   0.82606   0.83308   0.83797   0.84272
 Alpha virt. eigenvalues --    0.84757   0.85119   0.86101   0.88025   0.88565
 Alpha virt. eigenvalues --    0.89756   0.91063   0.91790   0.95524   0.96759
 Alpha virt. eigenvalues --    0.97615   1.00256   1.00392   1.01461   1.03729
 Alpha virt. eigenvalues --    1.04378   1.06187   1.07972   1.09306   1.11481
 Alpha virt. eigenvalues --    1.11850   1.12512   1.13077   1.17678   1.19717
 Alpha virt. eigenvalues --    1.20249   1.24044   1.24088   1.24956   1.25456
 Alpha virt. eigenvalues --    1.25741   1.26995   1.27111   1.29919   1.32530
 Alpha virt. eigenvalues --    1.32694   1.33458   1.34469   1.36753   1.38171
 Alpha virt. eigenvalues --    1.38634   1.40191   1.41867   1.42494   1.42524
 Alpha virt. eigenvalues --    1.43803   1.45890   1.46108   1.47259   1.49713
 Alpha virt. eigenvalues --    1.50178   1.50924   1.51042   1.52023   1.52973
 Alpha virt. eigenvalues --    1.53751   1.54849   1.57908   1.58304   1.59885
 Alpha virt. eigenvalues --    1.61226   1.61454   1.62023   1.62515   1.62757
 Alpha virt. eigenvalues --    1.64001   1.64227   1.66076   1.66206   1.66449
 Alpha virt. eigenvalues --    1.67976   1.68500   1.70054   1.70718   1.71193
 Alpha virt. eigenvalues --    1.73028   1.74322   1.75103   1.75747   1.76063
 Alpha virt. eigenvalues --    1.76763   1.77187   1.77289   1.77690   1.79069
 Alpha virt. eigenvalues --    1.79306   1.80696   1.81926   1.82096   1.83606
 Alpha virt. eigenvalues --    1.84054   1.84566   1.86470   1.86667   1.87604
 Alpha virt. eigenvalues --    1.87754   1.88282   1.89305   1.89920   1.90273
 Alpha virt. eigenvalues --    1.90902   1.90944   1.91784   1.94881   1.95766
 Alpha virt. eigenvalues --    1.96428   1.97082   1.98049   2.00184   2.01313
 Alpha virt. eigenvalues --    2.01549   2.03317   2.03967   2.05344   2.06998
 Alpha virt. eigenvalues --    2.07431   2.08101   2.09017   2.11154   2.11215
 Alpha virt. eigenvalues --    2.12381   2.13059   2.15779   2.16879   2.17200
 Alpha virt. eigenvalues --    2.17932   2.18844   2.20216   2.21064   2.21528
 Alpha virt. eigenvalues --    2.21660   2.21941   2.22506   2.22979   2.23900
 Alpha virt. eigenvalues --    2.29388   2.29680   2.31105   2.32428   2.33005
 Alpha virt. eigenvalues --    2.33208   2.35134   2.39143   2.39472   2.44296
 Alpha virt. eigenvalues --    2.45604   2.45811   2.47820   2.48161   2.49021
 Alpha virt. eigenvalues --    2.49738   2.51181   2.51777   2.52206   2.52242
 Alpha virt. eigenvalues --    2.53822   2.54987   2.57818   2.57888   2.62277
 Alpha virt. eigenvalues --    2.63286   2.65865   2.66297   2.70621   2.70706
 Alpha virt. eigenvalues --    2.77382   2.77904   2.78546   2.86942   2.89072
 Alpha virt. eigenvalues --    2.89473   2.89580   2.89586   2.90503   2.99826
 Alpha virt. eigenvalues --    3.03551   3.03913   3.05420   3.06243   3.07530
 Alpha virt. eigenvalues --    3.07627   3.25858   3.27863   3.28031   3.28940
 Alpha virt. eigenvalues --    3.31871   3.32681  48.80330
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.707923   0.158037   0.066634   0.075630   0.000106  -0.000319
     2  C    0.158037   4.706874  -0.468392   0.075182  -0.006256   0.000023
     3  N    0.066634  -0.468392  12.517214  -1.398354  -0.093619   0.003128
     4  Rh   0.075630   0.075182  -1.398354  19.388511  -1.175270   0.095651
     5  N    0.000106  -0.006256  -0.093619  -1.175270  11.639259  -0.387589
     6  C   -0.000319   0.000023   0.003128   0.095651  -0.387589   4.711747
     7  C    0.000426  -0.002321  -0.001805   0.038529   0.043073   0.140748
     8  N    0.013047   0.043760  -0.230087  -1.270197  -0.129418  -0.008791
     9  N   -0.469111   0.067133  -0.163154  -1.401179  -0.130441   0.004580
    10  N   -0.006283   0.000052  -0.127407  -1.172254   0.074888   0.034637
    11  C    0.000026  -0.000308   0.004079   0.095342   0.034984  -0.005770
    12  C   -0.002342   0.000394   0.012734   0.038937  -0.011983  -0.000065
    13  N    0.044230   0.012980   0.194153  -1.270960  -0.153799   0.004436
    14  H    0.000195   0.000070   0.001711   0.082924  -0.181162   0.274218
    15  H   -0.000111   0.000001   0.000532   0.022344  -0.188787   0.433184
    16  H    0.001691   0.000271   0.004343   0.083416  -0.081219   0.004735
    17  H   -0.000499  -0.000356   0.000922   0.032898   0.034202  -0.003168
    18  H    0.000285   0.001645  -0.036886   0.083476  -0.003521  -0.000023
    19  H   -0.000358  -0.000495  -0.002414   0.032816   0.007151   0.000005
    20  H    0.000072   0.000194  -0.005594   0.083217  -0.012953  -0.000062
    21  H    0.000001  -0.000109   0.010606   0.022096  -0.007826   0.000107
    22  H    0.000089  -0.000071   0.036262   0.250382  -0.077811   0.007347
    23  H    0.000256   0.001535  -0.043973   0.154697   0.014333  -0.005032
    24  H   -0.006213  -0.004310  -0.091650   0.277061   0.025114  -0.000505
    25  H   -0.003880  -0.003148  -0.013716   0.160200   0.008009  -0.000421
    26  H    0.063835  -0.044812   0.001403   0.156681  -0.001249   0.003698
    27  H    0.130857  -0.008854   0.032064   0.238161   0.013333  -0.005139
    28  H   -0.004323  -0.006130   0.027898   0.277614   0.036851   0.008188
    29  H   -0.003126  -0.003799   0.009033   0.159343  -0.014877  -0.025153
    30  H   -0.000082   0.000091   0.004642   0.250618  -0.814238   0.105148
    31  H    0.001525   0.000257   0.001452   0.155180  -0.277714   0.060967
    32  H    0.234892   0.000823  -0.105771   0.110019   0.004078  -0.000053
    33  H    0.467024  -0.013286   0.044678   0.026615   0.000437  -0.000085
    34  H   -0.012634   0.465663  -0.222429   0.026752   0.000577  -0.000057
    35  H   -0.000068   0.236827  -0.221456   0.109361   0.001078   0.000418
    36  H   -0.008839   0.130981  -0.825303   0.237546   0.004429  -0.000549
    37  H   -0.044618   0.064051  -0.544057   0.156229   0.000076  -0.000207
               7          8          9         10         11         12
     1  C    0.000426   0.013047  -0.469111  -0.006283   0.000026  -0.002342
     2  C   -0.002321   0.043760   0.067133   0.000052  -0.000308   0.000394
     3  N   -0.001805  -0.230087  -0.163154  -0.127407   0.004079   0.012734
     4  Rh   0.038529  -1.270197  -1.401179  -1.172254   0.095342   0.038937
     5  N    0.043073  -0.129418  -0.130441   0.074888   0.034984  -0.011983
     6  C    0.140748  -0.008791   0.004580   0.034637  -0.005770  -0.000065
     7  C    4.731466  -0.294408   0.012451  -0.012081  -0.000048  -0.000387
     8  N   -0.294408  11.972666   0.194776  -0.152493   0.004417  -0.002246
     9  N    0.012451   0.194776  12.530397  -0.093873   0.003149  -0.001538
    10  N   -0.012081  -0.152493  -0.093873  11.619004  -0.385129   0.043124
    11  C   -0.000048   0.004417   0.003149  -0.385129   4.711615   0.140808
    12  C   -0.000387  -0.002246  -0.001538   0.043124   0.140808   4.730777
    13  N   -0.002265  -0.101345  -0.232523  -0.130093  -0.009049  -0.296451
    14  H   -0.025535  -0.072413  -0.005603  -0.012665  -0.000093   0.000388
    15  H    0.016751   0.040020   0.010699  -0.007858   0.000105   0.000004
    16  H    0.241827  -0.181638  -0.037713  -0.003459  -0.000024   0.000083
    17  H    0.457831  -0.227195  -0.002361   0.007059   0.000005  -0.000013
    18  H    0.000083   0.000756   0.004369  -0.081306   0.004159   0.243336
    19  H   -0.000013   0.000585   0.000936   0.034215  -0.002874   0.456958
    20  H    0.000399   0.004535   0.001725  -0.180961   0.272794  -0.025023
    21  H    0.000002   0.000695   0.000535  -0.187386   0.434019   0.016238
    22  H    0.001412  -0.007404   0.004681  -0.810310   0.104705   0.000787
    23  H    0.000322   0.007933   0.001454  -0.274556   0.060470  -0.035674
    24  H   -0.000034   0.005354   0.028041   0.036842   0.008179   0.071171
    25  H    0.000109   0.004232   0.009392  -0.014862  -0.024968   0.043910
    26  H    0.002225  -0.026655  -0.547432   0.000077  -0.000210  -0.000456
    27  H   -0.002399  -0.006517  -0.828172   0.004464  -0.000550   0.001550
    28  H    0.070665  -0.886781  -0.092062   0.024958  -0.000504  -0.000031
    29  H    0.043673  -0.365553  -0.013698   0.008351  -0.000450   0.000099
    30  H    0.000897   0.038848   0.036725  -0.077868   0.007347   0.001415
    31  H   -0.035700  -0.011034  -0.043330   0.014303  -0.005082   0.000286
    32  H    0.000517  -0.001083  -0.222539   0.001086   0.000424   0.001142
    33  H   -0.000279   0.002583  -0.221822   0.000581  -0.000057   0.000034
    34  H    0.000037   0.003508   0.044240   0.000427  -0.000082  -0.000277
    35  H    0.001134  -0.037321  -0.105043   0.004038  -0.000054   0.000514
    36  H    0.001579   0.002517   0.031831   0.012774  -0.005035  -0.002397
    37  H   -0.000446   0.030689   0.001759  -0.001443   0.003733   0.002244
              13         14         15         16         17         18
     1  C    0.044230   0.000195  -0.000111   0.001691  -0.000499   0.000285
     2  C    0.012980   0.000070   0.000001   0.000271  -0.000356   0.001645
     3  N    0.194153   0.001711   0.000532   0.004343   0.000922  -0.036886
     4  Rh  -1.270960   0.082924   0.022344   0.083416   0.032898   0.083476
     5  N   -0.153799  -0.181162  -0.188787  -0.081219   0.034202  -0.003521
     6  C    0.004436   0.274218   0.433184   0.004735  -0.003168  -0.000023
     7  C   -0.002265  -0.025535   0.016751   0.241827   0.457831   0.000083
     8  N   -0.101345  -0.072413   0.040020  -0.181638  -0.227195   0.000756
     9  N   -0.232523  -0.005603   0.010699  -0.037713  -0.002361   0.004369
    10  N   -0.130093  -0.012665  -0.007858  -0.003459   0.007059  -0.081306
    11  C   -0.009049  -0.000093   0.000105  -0.000024   0.000005   0.004159
    12  C   -0.296451   0.000388   0.000004   0.000083  -0.000013   0.243336
    13  N   11.988397   0.004511   0.000696   0.000768   0.000588  -0.182645
    14  H    0.004511   1.084869  -0.239601   0.072364  -0.064700   0.000025
    15  H    0.000696  -0.239601   0.987729  -0.061028  -0.000973   0.000001
    16  H    0.000768   0.072364  -0.061028   1.110117  -0.249551   0.000003
    17  H    0.000588  -0.064700  -0.000973  -0.249551   1.024379  -0.000002
    18  H   -0.182645   0.000025   0.000001   0.000003  -0.000002   1.109499
    19  H   -0.227415  -0.000099  -0.000001  -0.000002  -0.000001  -0.249261
    20  H   -0.072904  -0.002520   0.000729   0.000026  -0.000099   0.072500
    21  H    0.040262   0.000717   0.000056   0.000001  -0.000001  -0.061141
    22  H    0.039140   0.015222   0.000799   0.000333  -0.000046  -0.001134
    23  H   -0.011076   0.001265  -0.000036   0.000305  -0.000213   0.015590
    24  H   -0.888180  -0.000246  -0.000011  -0.000096  -0.000006  -0.007910
    25  H   -0.368871   0.000377  -0.000294   0.000070  -0.000041   0.039756
    26  H    0.030994   0.000244   0.000010   0.018845  -0.002424  -0.000219
    27  H    0.002897   0.000798  -0.001527   0.004718   0.000087  -0.000062
    28  H    0.005383  -0.001498  -0.006978  -0.007517   0.082112  -0.000095
    29  H    0.004203   0.009311  -0.001354   0.039414  -0.017241   0.000069
    30  H   -0.007264  -0.018301   0.096620  -0.001156  -0.006948   0.000339
    31  H    0.008079   0.047415  -0.046594   0.015601  -0.000779   0.000310
    32  H   -0.037556  -0.000000  -0.000015   0.000379   0.000014   0.001178
    33  H    0.003579   0.000007  -0.000008  -0.000271  -0.000026  -0.000047
    34  H    0.002613  -0.000004  -0.000000  -0.000045  -0.000006  -0.000269
    35  H   -0.001096   0.000049  -0.000037   0.001175   0.000357   0.000370
    36  H   -0.006360  -0.000195  -0.000029  -0.000058   0.000048   0.004645
    37  H   -0.026828  -0.000105   0.000007  -0.000220  -0.000000   0.018499
              19         20         21         22         23         24
     1  C   -0.000358   0.000072   0.000001   0.000089   0.000256  -0.006213
     2  C   -0.000495   0.000194  -0.000109  -0.000071   0.001535  -0.004310
     3  N   -0.002414  -0.005594   0.010606   0.036262  -0.043973  -0.091650
     4  Rh   0.032816   0.083217   0.022096   0.250382   0.154697   0.277061
     5  N    0.007151  -0.012953  -0.007826  -0.077811   0.014333   0.025114
     6  C    0.000005  -0.000062   0.000107   0.007347  -0.005032  -0.000505
     7  C   -0.000013   0.000399   0.000002   0.001412   0.000322  -0.000034
     8  N    0.000585   0.004535   0.000695  -0.007404   0.007933   0.005354
     9  N    0.000936   0.001725   0.000535   0.004681   0.001454   0.028041
    10  N    0.034215  -0.180961  -0.187386  -0.810310  -0.274556   0.036842
    11  C   -0.002874   0.272794   0.434019   0.104705   0.060470   0.008179
    12  C    0.456958  -0.025023   0.016238   0.000787  -0.035674   0.071171
    13  N   -0.227415  -0.072904   0.040262   0.039140  -0.011076  -0.888180
    14  H   -0.000099  -0.002520   0.000717   0.015222   0.001265  -0.000246
    15  H   -0.000001   0.000729   0.000056   0.000799  -0.000036  -0.000011
    16  H   -0.000002   0.000026   0.000001   0.000333   0.000305  -0.000096
    17  H   -0.000001  -0.000099  -0.000001  -0.000046  -0.000213  -0.000006
    18  H   -0.249261   0.072500  -0.061141  -0.001134   0.015590  -0.007910
    19  H    1.024192  -0.064957  -0.000849  -0.006951  -0.000773   0.082463
    20  H   -0.064957   1.087175  -0.240365  -0.018004   0.047387  -0.001518
    21  H   -0.000849  -0.240365   0.988106   0.096021  -0.046525  -0.006979
    22  H   -0.006951  -0.018004   0.096021   0.996418  -0.075703  -0.004619
    23  H   -0.000773   0.047387  -0.046525  -0.075703   0.676091   0.000054
    24  H    0.082463  -0.001518  -0.006979  -0.004619   0.000054   0.980256
    25  H   -0.017582   0.009605  -0.001422   0.000528   0.002589  -0.015410
    26  H   -0.000001  -0.000106   0.000007   0.000092  -0.000059  -0.002019
    27  H    0.000047  -0.000196  -0.000030  -0.000367  -0.000069   0.007002
    28  H   -0.000006  -0.000249  -0.000011  -0.001046  -0.000698  -0.000159
    29  H   -0.000040   0.000374  -0.000296   0.007922  -0.008185  -0.000369
    30  H   -0.000050   0.015483   0.000776   0.035239   0.001343  -0.001057
    31  H   -0.000220   0.001286  -0.000038   0.001349  -0.001292  -0.000731
    32  H    0.000356   0.000050  -0.000037  -0.000088   0.000051   0.019749
    33  H   -0.000007  -0.000004  -0.000000  -0.000005  -0.000030  -0.002675
    34  H   -0.000026   0.000007  -0.000008  -0.000028  -0.000148   0.000741
    35  H    0.000014   0.000000  -0.000015  -0.000341   0.000320   0.000348
    36  H    0.000089   0.000795  -0.001509  -0.007111   0.009213   0.005254
    37  H   -0.002372   0.000246   0.000013  -0.000140   0.002594   0.023290
              25         26         27         28         29         30
     1  C   -0.003880   0.063835   0.130857  -0.004323  -0.003126  -0.000082
     2  C   -0.003148  -0.044812  -0.008854  -0.006130  -0.003799   0.000091
     3  N   -0.013716   0.001403   0.032064   0.027898   0.009033   0.004642
     4  Rh   0.160200   0.156681   0.238161   0.277614   0.159343   0.250618
     5  N    0.008009  -0.001249   0.013333   0.036851  -0.014877  -0.814238
     6  C   -0.000421   0.003698  -0.005139   0.008188  -0.025153   0.105148
     7  C    0.000109   0.002225  -0.002399   0.070665   0.043673   0.000897
     8  N    0.004232  -0.026655  -0.006517  -0.886781  -0.365553   0.038848
     9  N    0.009392  -0.547432  -0.828172  -0.092062  -0.013698   0.036725
    10  N   -0.014862   0.000077   0.004464   0.024958   0.008351  -0.077868
    11  C   -0.024968  -0.000210  -0.000550  -0.000504  -0.000450   0.007347
    12  C    0.043910  -0.000456   0.001550  -0.000031   0.000099   0.001415
    13  N   -0.368871   0.030994   0.002897   0.005383   0.004203  -0.007264
    14  H    0.000377   0.000244   0.000798  -0.001498   0.009311  -0.018301
    15  H   -0.000294   0.000010  -0.001527  -0.006978  -0.001354   0.096620
    16  H    0.000070   0.018845   0.004718  -0.007517   0.039414  -0.001156
    17  H   -0.000041  -0.002424   0.000087   0.082112  -0.017241  -0.006948
    18  H    0.039756  -0.000219  -0.000062  -0.000095   0.000069   0.000339
    19  H   -0.017582  -0.000001   0.000047  -0.000006  -0.000040  -0.000050
    20  H    0.009605  -0.000106  -0.000196  -0.000249   0.000374   0.015483
    21  H   -0.001422   0.000007  -0.000030  -0.000011  -0.000296   0.000776
    22  H    0.000528   0.000092  -0.000367  -0.001046   0.007922   0.035239
    23  H    0.002589  -0.000059  -0.000069  -0.000698  -0.008185   0.001343
    24  H   -0.015410  -0.002019   0.007002  -0.000159  -0.000369  -0.001057
    25  H    0.630071  -0.002768   0.002583  -0.000372  -0.000336   0.007953
    26  H   -0.002768   0.750264  -0.024928   0.023323   0.001199  -0.000156
    27  H    0.002583  -0.024928   0.860016   0.005295  -0.000109  -0.007236
    28  H   -0.000372   0.023323   0.005295   0.981428  -0.016229  -0.004606
    29  H   -0.000336   0.001199  -0.000109  -0.016229   0.629876   0.000569
    30  H    0.007953  -0.000156  -0.007236  -0.004606   0.000569   0.997515
    31  H   -0.008150   0.002500   0.009165   0.000022   0.002583  -0.075361
    32  H    0.005243   0.069825  -0.017179   0.000342   0.000014  -0.000346
    33  H   -0.000113  -0.043257   0.090224   0.000739  -0.000117  -0.000029
    34  H   -0.000119   0.001206  -0.006914  -0.002623  -0.000111  -0.000004
    35  H    0.000015   0.019467   0.000397   0.019540   0.005199  -0.000088
    36  H   -0.000111  -0.000357  -0.003226   0.007040   0.002623  -0.000363
    37  H    0.001230  -0.001413  -0.000442  -0.002015  -0.002720   0.000094
              31         32         33         34         35         36
     1  C    0.001525   0.234892   0.467024  -0.012634  -0.000068  -0.008839
     2  C    0.000257   0.000823  -0.013286   0.465663   0.236827   0.130981
     3  N    0.001452  -0.105771   0.044678  -0.222429  -0.221456  -0.825303
     4  Rh   0.155180   0.110019   0.026615   0.026752   0.109361   0.237546
     5  N   -0.277714   0.004078   0.000437   0.000577   0.001078   0.004429
     6  C    0.060967  -0.000053  -0.000085  -0.000057   0.000418  -0.000549
     7  C   -0.035700   0.000517  -0.000279   0.000037   0.001134   0.001579
     8  N   -0.011034  -0.001083   0.002583   0.003508  -0.037321   0.002517
     9  N   -0.043330  -0.222539  -0.221822   0.044240  -0.105043   0.031831
    10  N    0.014303   0.001086   0.000581   0.000427   0.004038   0.012774
    11  C   -0.005082   0.000424  -0.000057  -0.000082  -0.000054  -0.005035
    12  C    0.000286   0.001142   0.000034  -0.000277   0.000514  -0.002397
    13  N    0.008079  -0.037556   0.003579   0.002613  -0.001096  -0.006360
    14  H    0.047415  -0.000000   0.000007  -0.000004   0.000049  -0.000195
    15  H   -0.046594  -0.000015  -0.000008  -0.000000  -0.000037  -0.000029
    16  H    0.015601   0.000379  -0.000271  -0.000045   0.001175  -0.000058
    17  H   -0.000779   0.000014  -0.000026  -0.000006   0.000357   0.000048
    18  H    0.000310   0.001178  -0.000047  -0.000269   0.000370   0.004645
    19  H   -0.000220   0.000356  -0.000007  -0.000026   0.000014   0.000089
    20  H    0.001286   0.000050  -0.000004   0.000007   0.000000   0.000795
    21  H   -0.000038  -0.000037  -0.000000  -0.000008  -0.000015  -0.001509
    22  H    0.001349  -0.000088  -0.000005  -0.000028  -0.000341  -0.007111
    23  H   -0.001292   0.000051  -0.000030  -0.000148   0.000320   0.009213
    24  H   -0.000731   0.019749  -0.002675   0.000741   0.000348   0.005254
    25  H   -0.008150   0.005243  -0.000113  -0.000119   0.000015  -0.000111
    26  H    0.002500   0.069825  -0.043257   0.001206   0.019467  -0.000357
    27  H    0.009165  -0.017179   0.090224  -0.006914   0.000397  -0.003226
    28  H    0.000022   0.000342   0.000739  -0.002623   0.019540   0.007040
    29  H    0.002583   0.000014  -0.000117  -0.000111   0.005199   0.002623
    30  H   -0.075361  -0.000346  -0.000029  -0.000004  -0.000088  -0.000363
    31  H    0.676028   0.000321  -0.000153  -0.000030   0.000050  -0.000068
    32  H    0.000321   1.170237  -0.268781  -0.048955   0.071522   0.000448
    33  H   -0.000153  -0.268781   1.046751  -0.021912  -0.049221  -0.006939
    34  H   -0.000030  -0.048955  -0.021912   1.045344  -0.267309   0.090567
    35  H    0.000050   0.071522  -0.049221  -0.267309   1.166355  -0.017771
    36  H   -0.000068   0.000448  -0.006939   0.090567  -0.017771   0.858709
    37  H   -0.000058   0.019617   0.001091  -0.043148   0.069479  -0.025399
              37
     1  C   -0.044618
     2  C    0.064051
     3  N   -0.544057
     4  Rh   0.156229
     5  N    0.000076
     6  C   -0.000207
     7  C   -0.000446
     8  N    0.030689
     9  N    0.001759
    10  N   -0.001443
    11  C    0.003733
    12  C    0.002244
    13  N   -0.026828
    14  H   -0.000105
    15  H    0.000007
    16  H   -0.000220
    17  H   -0.000000
    18  H    0.018499
    19  H   -0.002372
    20  H    0.000246
    21  H    0.000013
    22  H   -0.000140
    23  H    0.002594
    24  H    0.023290
    25  H    0.001230
    26  H   -0.001413
    27  H   -0.000442
    28  H   -0.002015
    29  H   -0.002720
    30  H    0.000094
    31  H   -0.000058
    32  H    0.019617
    33  H    0.001091
    34  H   -0.043148
    35  H    0.069479
    36  H   -0.025399
    37  H    0.748417
 Mulliken charges:
               1
     1  C    0.596026
     2  C    0.595802
     3  N   -1.377421
     4  Rh   1.690784
     5  N   -1.192246
     6  C    0.550022
     7  C    0.571564
     8  N   -1.358339
     9  N   -1.377278
    10  N   -1.188591
    11  C    0.549932
    12  C    0.571949
    13  N   -1.361228
    14  H    0.028060
    15  H   -0.055045
    16  H    0.023515
    17  H   -0.063851
    18  H    0.023630
    19  H   -0.063058
    20  H    0.026916
    21  H   -0.055712
    22  H    0.412451
    23  H    0.506242
    24  H    0.463781
    25  H    0.550714
    26  H    0.552624
    27  H    0.510257
    28  H    0.462534
    29  H    0.549907
    30  H    0.413495
    31  H    0.507654
    32  H   -0.009921
    33  H   -0.055218
    34  H   -0.054544
    35  H   -0.008209
    36  H    0.510530
    37  H    0.552271
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.530888
     2  C    0.533049
     3  N   -0.314620
     4  Rh   1.690784
     5  N   -0.271098
     6  C    0.523037
     7  C    0.531228
     8  N   -0.345897
     9  N   -0.314396
    10  N   -0.269898
    11  C    0.521137
    12  C    0.532521
    13  N   -0.346733
 Electronic spatial extent (au):  <R**2>=           2779.8676
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0191    Y=             -0.0001    Z=              0.0000  Tot=              0.0191
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.0878   YY=            -30.5691   ZZ=            -53.3076
   XY=             -0.0011   XZ=             -0.0046   YZ=             -0.1389
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.9004   YY=              7.4191   ZZ=            -15.3195
   XY=             -0.0011   XZ=             -0.0046   YZ=             -0.1389
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -36.9128  YYY=              0.2118  ZZZ=              0.0434  XYY=             37.6805
  XXY=             -0.2097  XXZ=              0.0080  XZZ=             -0.5870  YZZ=             -0.0087
  YYZ=              0.0196  XYZ=             -0.8222
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1001.3515 YYYY=           -967.2501 ZZZZ=           -352.0493 XXXY=              0.0547
 XXXZ=              0.1801 YYYX=             -0.0445 YYYZ=             38.4027 ZZZX=             -0.0093
 ZZZY=             -4.6284 XXYY=           -330.7312 XXZZ=           -228.8172 YYZZ=           -230.5907
 XXYZ=            -36.6082 YYXZ=             -0.2352 ZZXY=             -0.0066
 N-N= 1.198321918231D+03 E-N=-3.900100728115D+03  KE= 6.034012243028D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 19:07:40 2021, MaxMem= 10737418240 cpu:              11.0 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 8.90860634D-03-8.00422508D-05 1.00325385D-04
 Polarizability= 1.50517013D+02-7.52488376D-04 1.49049515D+02
                -1.56818627D-03 5.98748852D-02 1.18804058D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0009    0.0008       -0.0006   -0.0008
 2     -0.0009   -0.0008       -0.0471   -0.0328       -0.7398   -0.7308
 3      0.0006    0.0008       15.9264   15.9405        0.0388    0.0328
 4      0.0471    0.0328       -0.0000    0.0000        0.0006    0.0008
 5    -15.1866  -15.2097       -0.0006   -0.0008        0.0009    0.0008
 6     -0.0388   -0.0328       -0.0009   -0.0008        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0025   -0.0025       -0.0023   -0.0023
 2      0.0984    0.0984       -0.0000    0.0000       -0.0023   -0.0023
 3      0.0984    0.0984       -0.0025   -0.0025       -0.0000    0.0000
 4     -0.0025   -0.0025       -0.0984   -0.0984       -2.1923   -2.1923
 5      0.0023    0.0023       47.8216   47.8216        0.0984    0.0984
 6    -45.6292  -45.6292       -0.0023   -0.0023        0.0025    0.0025
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0549    0.0000       -0.0063   -0.0033       -0.0196    0.0031
 2     -0.0048    0.0033        0.0745    0.1312        2.7483    2.9231
 3      0.0079   -0.0031      -63.8334  -63.7621        0.2348   -0.1312
 4      0.0395   -0.1312        0.0130    0.0000        0.0052   -0.0031
 5     61.3628   60.8390       -0.0037    0.0031       -0.0137   -0.0033
 6      0.0623    0.1312        0.0077    0.0033        0.0025    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.7389    0.0000       -0.0341   -0.0229        0.1082    0.0737
 2      0.0439    0.0229       -3.2348   -2.6238       -6.8387   -7.3070
 3     -0.0662   -0.0737      -14.2699  -14.5462        3.2118    2.6238
 4      3.3826    2.6238        0.0215    0.0000       -0.0732   -0.0737
 5     22.3792   21.8531        0.0912    0.0737       -0.0679   -0.0229
 6     -2.5988   -2.6238        0.0189    0.0229       -0.0195    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     96.3979   96.1946        0.4455    0.4581       -0.0051    0.0084
 2    101.1748  100.7987        0.4389    0.4564        0.0043    0.0084
 3    101.4502  100.7987        0.4501    0.4581       -0.0134    0.0073
 4     -0.0016    0.0017       -4.6729   -4.6041        3.9553    2.8949
 5      0.0033   -0.0012      -27.2903  -27.6468        5.1342    4.6041
 6     25.7774   24.7519        0.0522    0.0012       -0.0795   -0.0017
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.7638  -13.0428   -5.2346   -0.0003    0.0004    0.0005
 Low frequencies ---   87.2320   90.4818  111.3947
 Diagonal vibrational polarizability:
       15.2900420      13.7720291      12.4000970
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     87.2132                90.4421               111.3698
 Red. masses --      3.0313                 2.9985                 2.8527
 Frc consts  --      0.0136                 0.0145                 0.0208
 IR Inten    --      0.0214                 0.0119                 0.1948
 RamAct Fr= 1--      0.9132                 0.9339                 0.0779
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1304                 0.1334                 0.0111
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.1028                -0.3763                 0.0311
 Delta2 Fr= 1--     -0.0332                -0.0579                -0.0040
 Raman1 Fr= 1--       3.653                  3.736                  0.311
 ROA1   Fr= 1--     -10.933                -37.979                  2.862
 CID1   Fr= 1--      -2.993                -10.167                  9.190
 Raman2 Fr= 1--       1.565                  1.601                  0.133
 ROA2   Fr= 1--      -2.202                 -8.569                  0.780
 CID2   Fr= 1--      -1.407                 -5.352                  5.841
 Raman3 Fr= 1--       3.131                  3.202                  0.267
 ROA3   Fr= 1--     -10.933                -37.979                  2.862
 CID3   Fr= 1--      -3.492                -11.861                 10.722
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00    -0.04   0.20   0.08     0.06  -0.01  -0.09
     2   6    -0.04   0.03   0.00     0.04   0.20   0.08    -0.06  -0.01  -0.09
     3   7    -0.05   0.03   0.02    -0.03  -0.00  -0.04    -0.06   0.06   0.03
     4  45    -0.04  -0.00   0.00     0.00  -0.04  -0.01     0.00  -0.01   0.06
     5   7    -0.02  -0.05  -0.01     0.01  -0.02   0.03     0.02  -0.08   0.03
     6   6     0.11  -0.16   0.06    -0.08   0.04   0.00    -0.05   0.04  -0.10
     7   6     0.16  -0.05   0.05    -0.13  -0.01  -0.03    -0.07   0.00  -0.11
     8   7    -0.01   0.01  -0.03    -0.06  -0.04  -0.01     0.06   0.01   0.02
     9   7    -0.04  -0.03  -0.02     0.04  -0.00  -0.03     0.06   0.06   0.03
    10   7    -0.02   0.05   0.01    -0.01  -0.02   0.03    -0.02  -0.08   0.02
    11   6     0.11   0.16  -0.06     0.07   0.03   0.01     0.04   0.03  -0.10
    12   6     0.17   0.05  -0.05     0.11  -0.02  -0.03     0.07   0.00  -0.11
    13   7    -0.01  -0.02   0.03     0.06  -0.04  -0.01    -0.06   0.01   0.02
    14   1     0.04  -0.28   0.06    -0.07   0.10   0.03     0.01   0.16  -0.10
    15   1     0.21  -0.19   0.11    -0.11   0.05  -0.01    -0.13   0.01  -0.19
    16   1     0.24   0.07   0.03    -0.14  -0.07  -0.05    -0.14  -0.12  -0.12
    17   1     0.23  -0.11   0.09    -0.18   0.02  -0.05    -0.11   0.09  -0.21
    18   1     0.26  -0.07  -0.04     0.13  -0.07  -0.05     0.14  -0.12  -0.12
    19   1     0.24   0.12  -0.10     0.17   0.02  -0.04     0.10   0.09  -0.21
    20   1     0.05   0.28  -0.06     0.06   0.09   0.03    -0.01   0.15  -0.09
    21   1     0.22   0.19  -0.11     0.09   0.04  -0.00     0.12   0.01  -0.19
    22   1    -0.08   0.10   0.10    -0.05   0.00   0.08    -0.05  -0.08   0.13
    23   1    -0.03  -0.06  -0.04    -0.04  -0.07  -0.00    -0.04  -0.20  -0.03
    24   1    -0.00  -0.10   0.13     0.08  -0.07  -0.01    -0.08  -0.01   0.12
    25   1    -0.12   0.02  -0.03     0.05  -0.01  -0.02    -0.18   0.06  -0.04
    26   1    -0.04  -0.03  -0.06     0.17   0.03  -0.14     0.02   0.04   0.12
    27   1    -0.04  -0.07  -0.02    -0.01  -0.13  -0.03     0.11   0.15   0.03
    28   1    -0.01   0.09  -0.13    -0.08  -0.08   0.00     0.08  -0.01   0.12
    29   1    -0.12  -0.02   0.03    -0.04  -0.01  -0.02     0.18   0.06  -0.04
    30   1    -0.08  -0.10  -0.09     0.06   0.01   0.09     0.05  -0.08   0.13
    31   1    -0.03   0.05   0.04     0.04  -0.07  -0.01     0.05  -0.20  -0.03
    32   1    -0.05  -0.03   0.03    -0.23   0.20   0.09     0.15  -0.01  -0.10
    33   1    -0.04  -0.02  -0.02     0.02   0.34   0.14     0.06  -0.05  -0.16
    34   1    -0.05   0.04   0.02    -0.02   0.34   0.14    -0.06  -0.05  -0.16
    35   1    -0.04   0.04  -0.02     0.23   0.20   0.09    -0.15  -0.01  -0.10
    36   1    -0.04   0.06   0.02     0.01  -0.13  -0.03    -0.11   0.15   0.03
    37   1    -0.05   0.03   0.05    -0.16   0.03  -0.15    -0.02   0.04   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    142.4225               143.9151               160.6105
 Red. masses --      2.9021                 2.9067                 2.7002
 Frc consts  --      0.0347                 0.0355                 0.0410
 IR Inten    --      0.3605                 0.6318                 0.0271
 RamAct Fr= 1--      0.1902                 0.2986                 1.6050
  Dep-P Fr= 1--      0.7500                 0.7284                 0.7332
  Dep-U Fr= 1--      0.8571                 0.8429                 0.8461
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0005
 Beta2  Fr= 1--      0.0272                 0.0419                 0.2263
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0110
 Gamma2 Fr= 1--      1.2549                 1.5285                -3.1637
 Delta2 Fr= 1--      0.1697                 0.2364                -0.6766
 Raman1 Fr= 1--       0.761                  1.194                  6.420
 ROA1   Fr= 1--     125.907                154.301               -325.368
 CID1   Fr= 1--     165.483                129.182                -50.681
 Raman2 Fr= 1--       0.326                  0.503                  2.716
 ROA2   Fr= 1--      28.761                 34.793                -70.516
 CID2   Fr= 1--      88.204                 69.119                -25.964
 Raman3 Fr= 1--       0.652                  1.007                  5.432
 ROA3   Fr= 1--     125.907                154.301               -325.368
 CID3   Fr= 1--     193.066                153.267                -59.901
 RC180  Fr= 1--       0.714                  0.686                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.08     0.03  -0.11  -0.02    -0.03   0.09   0.01
     2   6    -0.02   0.04  -0.09     0.03   0.11   0.01    -0.03  -0.09  -0.01
     3   7    -0.05   0.01  -0.04     0.02   0.13   0.09    -0.00  -0.09  -0.07
     4  45    -0.00  -0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   7    -0.10   0.06  -0.06     0.06   0.03   0.07     0.09  -0.04   0.08
     6   6    -0.06   0.04  -0.05    -0.01   0.03   0.12     0.04  -0.02   0.08
     7   6     0.01  -0.02   0.13    -0.06   0.02   0.03    -0.03   0.02  -0.08
     8   7     0.07  -0.09   0.09    -0.08   0.01  -0.01    -0.08   0.05  -0.07
     9   7     0.05   0.03  -0.03     0.02  -0.13  -0.09    -0.00   0.09   0.07
    10   7     0.09   0.06  -0.05     0.07  -0.02  -0.07     0.09   0.04  -0.08
    11   6     0.06   0.04  -0.04    -0.00  -0.02  -0.13     0.04   0.02  -0.08
    12   6    -0.01  -0.02   0.13    -0.06  -0.02  -0.02    -0.03  -0.02   0.08
    13   7    -0.06  -0.09   0.09    -0.09  -0.02   0.02    -0.08  -0.05   0.07
    14   1     0.05   0.02  -0.17    -0.07   0.02   0.18    -0.05   0.00   0.18
    15   1    -0.16   0.10  -0.08     0.05   0.03   0.17     0.13  -0.06   0.11
    16   1    -0.05   0.06   0.24    -0.02  -0.01  -0.02     0.03  -0.05  -0.18
    17   1     0.09  -0.09   0.18    -0.12   0.03   0.05    -0.11   0.07  -0.11
    18   1     0.06   0.06   0.24    -0.02   0.01   0.04     0.03   0.05   0.18
    19   1    -0.07  -0.09   0.18    -0.13  -0.04  -0.03    -0.11  -0.07   0.10
    20   1    -0.04   0.03  -0.15    -0.07  -0.02  -0.20    -0.05  -0.00  -0.19
    21   1     0.15   0.10  -0.06     0.06  -0.02  -0.18     0.13   0.06  -0.11
    22   1     0.10   0.11  -0.16     0.09  -0.04  -0.11     0.11   0.07  -0.17
    23   1     0.18   0.10  -0.00     0.12  -0.03  -0.05     0.18   0.07  -0.03
    24   1    -0.08  -0.11   0.19    -0.13   0.01   0.10    -0.11  -0.05   0.17
    25   1    -0.12  -0.17   0.05    -0.15  -0.05  -0.02    -0.14  -0.11   0.03
    26   1     0.07   0.03  -0.01    -0.00  -0.12  -0.23     0.03   0.08   0.14
    27   1     0.08   0.04  -0.03     0.05  -0.27  -0.08    -0.01   0.16   0.06
    28   1     0.10  -0.11   0.20    -0.12  -0.02  -0.08    -0.11   0.05  -0.17
    29   1     0.14  -0.17   0.04    -0.14   0.03   0.03    -0.15   0.11  -0.03
    30   1    -0.11   0.10  -0.17     0.08   0.05   0.10     0.10  -0.07   0.17
    31   1    -0.19   0.09  -0.01     0.10   0.04   0.05     0.18  -0.07   0.03
    32   1     0.01   0.06  -0.10     0.06  -0.18   0.12    -0.07   0.16  -0.11
    33   1     0.05   0.08  -0.10     0.02  -0.18  -0.11    -0.01   0.17   0.09
    34   1    -0.05   0.06  -0.11     0.02   0.18   0.10    -0.01  -0.17  -0.09
    35   1    -0.02   0.04  -0.09     0.05   0.19  -0.13    -0.07  -0.16   0.11
    36   1    -0.09   0.01  -0.03     0.04   0.27   0.07    -0.01  -0.16  -0.06
    37   1    -0.07   0.01  -0.04    -0.01   0.12   0.23     0.03  -0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.1110               214.6581               218.6226
 Red. masses --      2.7389                 2.7547                 2.9959
 Frc consts  --      0.0740                 0.0748                 0.0844
 IR Inten    --      6.3106                 6.0446                13.5935
 RamAct Fr= 1--      2.8354                 2.4985                 0.0267
  Dep-P Fr= 1--      0.7457                 0.7500                 0.7491
  Dep-U Fr= 1--      0.8543                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4037                 0.3569                 0.0038
 AlphaG Fr= 1--     -0.0016                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.1344                -1.4487                -0.0670
 Delta2 Fr= 1--     -0.0566                 0.0758                -0.0149
 Raman1 Fr= 1--      11.342                  9.994                  0.107
 ROA1   Fr= 1--    -110.708               -136.649                 -6.905
 CID1   Fr= 1--      -9.761                -13.673                -64.722
 Raman2 Fr= 1--       4.845                  4.283                  0.046
 ROA2   Fr= 1--     -26.772                -35.375                 -1.487
 CID2   Fr= 1--      -5.526                 -8.259                -32.549
 Raman3 Fr= 1--       9.690                  8.566                  0.091
 ROA3   Fr= 1--    -110.708               -136.649                 -6.905
 CID3   Fr= 1--     -11.425                -15.952                -75.560
 RC180  Fr= 1--       0.709                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.00     0.05   0.02  -0.02     0.00   0.03  -0.04
     2   6    -0.08   0.03   0.00    -0.05   0.02  -0.02    -0.00   0.03  -0.04
     3   7    -0.07   0.03  -0.01    -0.02   0.14   0.10    -0.07  -0.09  -0.04
     4  45    -0.01   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.07
     5   7     0.10  -0.11   0.07    -0.07  -0.02  -0.05    -0.13  -0.01  -0.03
     6   6     0.01  -0.02  -0.01    -0.05  -0.08   0.03    -0.01  -0.07  -0.04
     7   6    -0.03  -0.08  -0.02    -0.05  -0.05   0.00     0.05   0.03  -0.04
     8   7     0.09  -0.08   0.08    -0.11  -0.02  -0.03    -0.06   0.10  -0.03
     9   7    -0.07  -0.04   0.00     0.01   0.14   0.10     0.07  -0.09  -0.04
    10   7     0.09   0.11  -0.06     0.07  -0.01  -0.05     0.13  -0.01  -0.03
    11   6     0.01   0.03   0.00     0.05  -0.08   0.03     0.01  -0.06  -0.04
    12   6    -0.03   0.08   0.02     0.05  -0.04   0.00    -0.05   0.03  -0.04
    13   7     0.08   0.08  -0.08     0.12  -0.02  -0.03     0.06   0.10  -0.03
    14   1     0.06   0.09   0.00    -0.11  -0.16   0.06    -0.04  -0.13  -0.05
    15   1    -0.06  -0.02  -0.06     0.03  -0.08   0.10     0.04  -0.11  -0.05
    16   1    -0.09  -0.20  -0.03    -0.00  -0.02  -0.02     0.09   0.10  -0.04
    17   1    -0.07   0.01  -0.10    -0.04  -0.06   0.02     0.12   0.00  -0.04
    18   1    -0.09   0.20   0.03    -0.00  -0.00  -0.02    -0.09   0.10  -0.04
    19   1    -0.07  -0.00   0.10     0.03  -0.06   0.02    -0.12   0.00  -0.04
    20   1     0.05  -0.07  -0.01     0.11  -0.16   0.06     0.04  -0.13  -0.05
    21   1    -0.05   0.03   0.05    -0.03  -0.08   0.10    -0.04  -0.11  -0.05
    22   1     0.12   0.15  -0.23     0.09   0.01  -0.13     0.17  -0.01  -0.16
    23   1     0.20   0.21   0.02     0.11   0.07  -0.01     0.23   0.05   0.03
    24   1     0.13   0.08  -0.22     0.15  -0.01  -0.13     0.09   0.15  -0.17
    25   1     0.22   0.10   0.00     0.21   0.01   0.02     0.17   0.17   0.04
    26   1    -0.08  -0.04  -0.01    -0.02   0.11   0.29     0.11  -0.06  -0.18
    27   1    -0.07  -0.04   0.00     0.01   0.32   0.08     0.12  -0.22  -0.02
    28   1     0.14  -0.08   0.23    -0.14  -0.02  -0.12    -0.09   0.15  -0.16
    29   1     0.23  -0.10  -0.00    -0.19   0.01   0.02    -0.17   0.16   0.04
    30   1     0.13  -0.15   0.24    -0.08  -0.00  -0.12    -0.17  -0.01  -0.16
    31   1     0.21  -0.22  -0.02    -0.10   0.05  -0.01    -0.23   0.05   0.03
    32   1    -0.07  -0.06   0.04     0.19   0.02  -0.02    -0.09   0.03  -0.03
    33   1    -0.08  -0.05  -0.04     0.02  -0.06  -0.08     0.06   0.11  -0.04
    34   1    -0.07   0.05   0.04    -0.03  -0.05  -0.08    -0.06   0.11  -0.04
    35   1    -0.05   0.06  -0.04    -0.19   0.02  -0.02     0.09   0.03  -0.03
    36   1    -0.06   0.02  -0.01    -0.02   0.32   0.08    -0.12  -0.22  -0.02
    37   1    -0.08   0.03  -0.01     0.01   0.11   0.29    -0.11  -0.06  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.0949               293.8793               305.0080
 Red. masses --      4.5464                 2.0369                 1.9489
 Frc consts  --      0.1649                 0.1036                 0.1068
 IR Inten    --      0.0102                 1.9235                 1.2407
 RamAct Fr= 1--     17.0786                 1.7117                 0.5413
  Dep-P Fr= 1--      0.0844                 0.5700                 0.6896
  Dep-U Fr= 1--      0.1556                 0.7261                 0.8163
 Alpha2 Fr= 1--      0.3106                 0.0058                 0.0006
 Beta2  Fr= 1--      0.4430                 0.2071                 0.0736
 AlphaG Fr= 1--      0.2869                -0.0209                 0.0022
 Gamma2 Fr= 1--      7.7573                -0.5246                -0.7017
 Delta2 Fr= 1--      0.2329                -0.1854                -0.0188
 Raman1 Fr= 1--      68.314                  6.847                  2.165
 ROA1   Fr= 1--     752.151                -56.295                -67.961
 CID1   Fr= 1--      11.010                 -8.222                -31.387
 Raman2 Fr= 1--       5.316                  2.486                  0.884
 ROA2   Fr= 1--     184.312                -11.108                -16.689
 CID2   Fr= 1--      34.674                 -4.469                -18.885
 Raman3 Fr= 1--      10.631                  4.971                  1.767
 ROA3   Fr= 1--     752.151                -56.295                -67.961
 CID3   Fr= 1--      70.749                -11.324                -38.451
 RC180  Fr= 1--      -0.689                  0.452                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17   0.00  -0.00    -0.09   0.11   0.01    -0.01   0.00  -0.01
     2   6     0.17  -0.00   0.00    -0.09  -0.11  -0.01     0.03  -0.00  -0.01
     3   7     0.13  -0.05   0.02     0.02   0.08   0.03     0.03  -0.01  -0.03
     4  45     0.00   0.00  -0.00     0.04   0.00   0.00    -0.00   0.04   0.00
     5   7    -0.05  -0.11  -0.05     0.00  -0.01  -0.04    -0.03   0.01  -0.03
     6   6    -0.08  -0.17   0.02    -0.02  -0.02  -0.01    -0.01  -0.07   0.06
     7   6    -0.10  -0.15  -0.03    -0.02  -0.04   0.02    -0.06  -0.04  -0.05
     8   7    -0.08  -0.09   0.05    -0.03  -0.04   0.00     0.05  -0.01   0.06
     9   7     0.13   0.06  -0.02     0.02  -0.08  -0.04    -0.02  -0.01  -0.04
    10   7    -0.06   0.11   0.05     0.00   0.01   0.04     0.04   0.03  -0.04
    11   6    -0.08   0.17  -0.02    -0.02   0.02   0.01     0.01  -0.08   0.08
    12   6    -0.10   0.15   0.03    -0.02   0.04  -0.02     0.07  -0.05  -0.07
    13   7    -0.08   0.09  -0.05    -0.03   0.04  -0.00    -0.06  -0.01   0.07
    14   1    -0.14  -0.22   0.06    -0.01  -0.03  -0.03    -0.13  -0.15   0.15
    15   1    -0.01  -0.15   0.09    -0.04   0.01   0.01     0.12  -0.08   0.16
    16   1    -0.10  -0.22  -0.06    -0.02  -0.02   0.04    -0.08  -0.21  -0.12
    17   1    -0.11  -0.09  -0.10    -0.01  -0.06   0.03    -0.14   0.08  -0.16
    18   1    -0.10   0.22   0.06    -0.02   0.02  -0.04     0.10  -0.26  -0.18
    19   1    -0.11   0.08   0.10    -0.00   0.06  -0.03     0.18   0.11  -0.21
    20   1    -0.14   0.22  -0.06    -0.01   0.03   0.03     0.17  -0.19   0.19
    21   1    -0.01   0.15  -0.09    -0.04  -0.01  -0.00    -0.18  -0.10   0.21
    22   1    -0.06   0.12   0.06     0.02  -0.02   0.07     0.08   0.03  -0.16
    23   1    -0.04   0.07   0.05    -0.02  -0.00   0.03     0.09   0.16   0.03
    24   1    -0.09   0.09  -0.03    -0.06   0.06   0.06    -0.10  -0.03   0.23
    25   1    -0.07   0.04  -0.05    -0.07   0.02  -0.03    -0.23  -0.01  -0.03
    26   1     0.10   0.05   0.00     0.12  -0.04  -0.21    -0.03  -0.00  -0.09
    27   1     0.12   0.08  -0.03     0.01  -0.25  -0.02    -0.00  -0.06  -0.03
    28   1    -0.09  -0.10   0.03    -0.06  -0.06  -0.06     0.08  -0.02   0.19
    29   1    -0.07  -0.04   0.05    -0.07  -0.02   0.03     0.18  -0.02  -0.01
    30   1    -0.06  -0.12  -0.06     0.01   0.02  -0.07    -0.06   0.00  -0.10
    31   1    -0.04  -0.07  -0.05    -0.02   0.00  -0.03    -0.05   0.10   0.01
    32   1     0.21   0.00  -0.00    -0.33   0.20  -0.14    -0.04   0.01  -0.02
    33   1     0.14  -0.05   0.01     0.00   0.34   0.15    -0.02   0.01   0.02
    34   1     0.14   0.05  -0.01     0.00  -0.34  -0.15     0.03   0.01   0.01
    35   1     0.21  -0.00   0.00    -0.33  -0.20   0.14     0.05   0.00  -0.02
    36   1     0.12  -0.07   0.03     0.01   0.25   0.02     0.01  -0.06  -0.03
    37   1     0.11  -0.05   0.00     0.12   0.04   0.21     0.04  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.3508               325.1912               332.0835
 Red. masses --      1.8025                 3.6329                 2.9190
 Frc consts  --      0.0990                 0.2263                 0.1897
 IR Inten    --      0.7339                 7.9894                 7.1555
 RamAct Fr= 1--      1.7334                 2.9703                 2.3307
  Dep-P Fr= 1--      0.1031                 0.7500                 0.7500
  Dep-U Fr= 1--      0.1870                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0301                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0540                 0.4243                 0.3330
 AlphaG Fr= 1--      0.1131                -0.0000                 0.0001
 Gamma2 Fr= 1--      0.1266                -1.1385                -3.0006
 Delta2 Fr= 1--     -0.1305                -0.0992                -0.0001
 Raman1 Fr= 1--       6.933                 11.881                  9.323
 ROA1   Fr= 1--       7.975               -112.466               -288.065
 CID1   Fr= 1--       1.150                 -9.466                -30.899
 Raman2 Fr= 1--       0.648                  5.092                  3.995
 ROA2   Fr= 1--       4.082                -26.530                -72.014
 CID2   Fr= 1--       6.298                 -5.210                -18.024
 Raman3 Fr= 1--       1.296                 10.184                  7.991
 ROA3   Fr= 1--       7.975               -112.466               -288.065
 CID3   Fr= 1--       6.151                -11.044                -36.049
 RC180  Fr= 1--      -0.626                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.00    -0.04  -0.01   0.00    -0.07  -0.08  -0.00
     2   6     0.04  -0.02   0.00     0.04  -0.02   0.00    -0.07   0.08   0.00
     3   7     0.03  -0.01   0.03     0.06   0.01  -0.06    -0.10  -0.02  -0.08
     4  45    -0.02  -0.00  -0.00    -0.00   0.10   0.00     0.09   0.00  -0.00
     5   7     0.03  -0.07   0.05    -0.01  -0.14  -0.00     0.01  -0.02  -0.05
     6   6    -0.02   0.05  -0.08    -0.08  -0.07  -0.07    -0.02  -0.02  -0.04
     7   6     0.05   0.02   0.09    -0.02  -0.08   0.07    -0.01  -0.05   0.03
     8   7    -0.06   0.00  -0.02    -0.08  -0.03   0.06    -0.08  -0.05  -0.03
     9   7     0.04   0.01  -0.02    -0.06   0.01  -0.06    -0.10   0.02   0.08
    10   7     0.02   0.07  -0.04     0.01  -0.14  -0.00     0.01   0.02   0.05
    11   6    -0.02  -0.03   0.06     0.08  -0.07  -0.07    -0.02   0.02   0.04
    12   6     0.03  -0.01  -0.07     0.02  -0.08   0.07    -0.01   0.05  -0.03
    13   7    -0.05   0.00   0.01     0.08  -0.03   0.06    -0.08   0.05   0.03
    14   1     0.15   0.17  -0.19     0.03  -0.01  -0.14     0.03  -0.01  -0.09
    15   1    -0.21   0.07  -0.20    -0.20  -0.04  -0.12    -0.09   0.03  -0.04
    16   1     0.06   0.21   0.19    -0.04   0.02   0.15     0.01   0.04   0.07
    17   1     0.17  -0.12   0.20     0.10  -0.14   0.08     0.03  -0.11   0.09
    18   1     0.04  -0.15  -0.15     0.04   0.02   0.15     0.01  -0.04  -0.07
    19   1     0.13   0.10  -0.15    -0.10  -0.15   0.08     0.03   0.11  -0.09
    20   1     0.11  -0.13   0.14    -0.03  -0.01  -0.14     0.03   0.01   0.08
    21   1    -0.17  -0.04   0.15     0.20  -0.04  -0.12    -0.08  -0.03   0.04
    22   1     0.05   0.11  -0.20    -0.02  -0.20   0.21     0.03  -0.01   0.08
    23   1     0.12   0.19   0.05    -0.12  -0.27  -0.11    -0.04   0.03   0.03
    24   1    -0.07  -0.02   0.10     0.09  -0.01  -0.01    -0.15   0.08   0.22
    25   1    -0.14   0.01  -0.05     0.14  -0.06   0.09    -0.24  -0.02  -0.07
    26   1     0.05   0.02  -0.04    -0.10   0.02  -0.18    -0.17  -0.01   0.25
    27   1     0.04  -0.01  -0.01    -0.04  -0.10  -0.05    -0.12   0.21   0.05
    28   1    -0.09   0.03  -0.15    -0.09  -0.01  -0.01    -0.15  -0.08  -0.22
    29   1    -0.20  -0.01   0.05    -0.14  -0.06   0.09    -0.24   0.01   0.07
    30   1     0.07  -0.11   0.24     0.02  -0.20   0.21     0.03   0.01  -0.07
    31   1     0.14  -0.22  -0.05     0.12  -0.27  -0.11    -0.04  -0.04  -0.03
    32   1     0.04   0.02  -0.02    -0.04  -0.02   0.01     0.07  -0.14   0.10
    33   1     0.04   0.02   0.02    -0.06  -0.03   0.04    -0.10  -0.20  -0.13
    34   1     0.04  -0.02  -0.03     0.06  -0.03   0.04    -0.10   0.20   0.13
    35   1     0.03  -0.03   0.02     0.04  -0.02   0.01     0.07   0.14  -0.10
    36   1     0.04   0.03   0.02     0.04  -0.10  -0.05    -0.12  -0.21  -0.05
    37   1     0.04  -0.02   0.07     0.10   0.02  -0.18    -0.17   0.01  -0.25
                     16                     17                     18
                      A                      A                      A
 Frequencies --    398.9203               403.0894               405.1945
 Red. masses --      4.0067                 4.1140                 4.8997
 Frc consts  --      0.3757                 0.3938                 0.4740
 IR Inten    --      1.0691                 0.8622                 3.4158
 RamAct Fr= 1--      0.8834                 3.9245                 4.8438
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7490
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1262                 0.5606                 0.6914
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0027
 Gamma2 Fr= 1--     -0.3069                 0.4702                -2.4910
 Delta2 Fr= 1--     -0.0692                -0.0106                -0.0943
 Raman1 Fr= 1--       3.534                 15.698                 19.375
 ROA1   Fr= 1--     -31.677                 44.795               -242.155
 CID1   Fr= 1--      -8.965                  2.854                -12.498
 Raman2 Fr= 1--       1.514                  6.728                  8.297
 ROA2   Fr= 1--      -6.813                 11.369                -59.030
 CID2   Fr= 1--      -4.499                  1.690                 -7.114
 Raman3 Fr= 1--       3.029                 13.455                 16.594
 ROA3   Fr= 1--     -31.677                 44.795               -242.155
 CID3   Fr= 1--     -10.459                  3.329                -14.593
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.02    -0.13   0.01  -0.09    -0.03   0.01  -0.00
     2   6     0.02   0.00  -0.02     0.13   0.01  -0.09    -0.02  -0.01  -0.00
     3   7     0.04   0.03  -0.02     0.21   0.11  -0.11    -0.02  -0.00   0.02
     4  45    -0.00   0.02   0.09    -0.00  -0.07   0.04     0.08  -0.00   0.00
     5   7     0.10   0.09  -0.09    -0.01  -0.01   0.02    -0.15  -0.12   0.14
     6   6     0.10   0.04  -0.04    -0.01   0.00  -0.01    -0.10  -0.07   0.03
     7   6     0.00  -0.12  -0.03     0.01   0.03   0.01    -0.00   0.11   0.02
     8   7    -0.04  -0.15  -0.09    -0.01   0.06   0.04     0.03   0.16   0.11
     9   7    -0.04   0.03  -0.02    -0.20   0.11  -0.11    -0.03   0.01  -0.03
    10   7    -0.10   0.09  -0.09     0.01  -0.02   0.02    -0.15   0.12  -0.14
    11   6    -0.09   0.04  -0.04     0.01  -0.00  -0.00    -0.10   0.07  -0.03
    12   6    -0.00  -0.12  -0.03    -0.01   0.03   0.01    -0.00  -0.11  -0.02
    13   7     0.04  -0.14  -0.08     0.01   0.07   0.05     0.03  -0.16  -0.11
    14   1     0.15   0.05  -0.08     0.00   0.02  -0.01    -0.13  -0.06   0.07
    15   1     0.01   0.16   0.01    -0.02  -0.01  -0.02    -0.03  -0.21  -0.05
    16   1     0.02  -0.17  -0.08     0.01   0.03   0.01    -0.03   0.12   0.05
    17   1    -0.14  -0.10   0.02     0.05   0.03  -0.02     0.13   0.12  -0.06
    18   1    -0.02  -0.16  -0.08    -0.01   0.04   0.01    -0.03  -0.13  -0.05
    19   1     0.14  -0.10   0.02    -0.05   0.04  -0.02     0.13  -0.12   0.06
    20   1    -0.14   0.05  -0.08     0.00   0.02  -0.01    -0.14   0.06  -0.07
    21   1    -0.01   0.15   0.01     0.02  -0.01  -0.02    -0.03   0.21   0.05
    22   1    -0.08   0.13  -0.24    -0.01   0.05  -0.07    -0.15   0.12  -0.15
    23   1     0.03   0.16  -0.00     0.10  -0.01   0.07    -0.18   0.18  -0.13
    24   1     0.10  -0.16  -0.26     0.01   0.09  -0.01     0.01  -0.12  -0.10
    25   1     0.18  -0.05   0.01     0.03   0.13   0.07     0.05  -0.22  -0.11
    26   1    -0.09   0.04  -0.15    -0.22   0.08   0.09    -0.05   0.01  -0.05
    27   1     0.03  -0.08  -0.00    -0.24   0.29  -0.13    -0.07  -0.01  -0.03
    28   1    -0.10  -0.17  -0.27    -0.01   0.09  -0.01     0.01   0.12   0.09
    29   1    -0.18  -0.06   0.01    -0.04   0.12   0.07     0.05   0.23   0.12
    30   1     0.08   0.13  -0.24     0.01   0.06  -0.08    -0.15  -0.11   0.14
    31   1    -0.03   0.16  -0.01    -0.10  -0.00   0.06    -0.19  -0.18   0.13
    32   1     0.00   0.00  -0.01    -0.17   0.05  -0.16    -0.04   0.01  -0.01
    33   1    -0.04  -0.02   0.01    -0.22  -0.00   0.10    -0.04   0.01   0.02
    34   1     0.04  -0.02   0.01     0.22   0.00   0.11    -0.02  -0.01  -0.02
    35   1     0.00   0.00  -0.01     0.17   0.05  -0.16    -0.03  -0.01  -0.00
    36   1    -0.02  -0.08  -0.00     0.24   0.29  -0.14    -0.06   0.02   0.03
    37   1     0.09   0.04  -0.15     0.22   0.08   0.08    -0.04  -0.01   0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.7618               464.1151               501.6388
 Red. masses --      3.8961                 4.1288                 4.1520
 Frc consts  --      0.4873                 0.5240                 0.6156
 IR Inten    --      6.4781                 8.0974                 0.0324
 RamAct Fr= 1--      4.4374                 4.5049                49.0552
  Dep-P Fr= 1--      0.7497                 0.7499                 0.0019
  Dep-U Fr= 1--      0.8570                 0.8571                 0.0038
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.0853
 Beta2  Fr= 1--      0.6338                 0.6435                 0.0309
 AlphaG Fr= 1--      0.0028                -0.0000                 0.4583
 Gamma2 Fr= 1--      0.6443                 0.7710                -0.0561
 Delta2 Fr= 1--      0.2123                 0.0194                 0.0413
 Raman1 Fr= 1--      17.750                 18.020                196.221
 ROA1   Fr= 1--      68.647                 74.635                 -4.066
 CID1   Fr= 1--       3.868                  4.142                 -0.021
 Raman2 Fr= 1--       7.605                  7.722                  0.371
 ROA2   Fr= 1--      13.764                 18.348                 -1.678
 CID2   Fr= 1--       1.810                  2.376                 -4.529
 Raman3 Fr= 1--      15.211                 15.444                  0.741
 ROA3   Fr= 1--      68.647                 74.635                 -4.066
 CID3   Fr= 1--       4.513                  4.833                 -5.487
 RC180  Fr= 1--       0.714                  0.714                 -0.992
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.01    -0.02  -0.00  -0.01    -0.01  -0.02   0.01
     2   6    -0.03   0.03  -0.01     0.02  -0.00  -0.01    -0.01   0.02  -0.01
     3   7     0.09   0.14  -0.20     0.04   0.03  -0.02     0.08   0.11  -0.14
     4  45    -0.03   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
     5   7     0.06  -0.01  -0.09    -0.16  -0.02   0.19    -0.12  -0.03   0.15
     6   6    -0.04  -0.03  -0.01     0.00   0.01   0.03    -0.01   0.01   0.02
     7   6    -0.00   0.02   0.02     0.01   0.04  -0.03     0.00   0.02  -0.01
     8   7    -0.04   0.11   0.10     0.06  -0.12  -0.18     0.04  -0.13  -0.16
     9   7     0.10  -0.14   0.20    -0.04   0.03  -0.02     0.08  -0.11   0.14
    10   7     0.05   0.01   0.09     0.16  -0.02   0.19    -0.12   0.03  -0.15
    11   6    -0.04   0.03   0.01    -0.01   0.01   0.03    -0.01  -0.01  -0.02
    12   6    -0.00  -0.03  -0.02    -0.01   0.04  -0.03     0.00  -0.02   0.01
    13   7    -0.03  -0.11  -0.10    -0.06  -0.12  -0.18     0.04   0.13   0.16
    14   1    -0.08  -0.07   0.01    -0.01   0.04   0.05    -0.00   0.03   0.04
    15   1     0.01   0.01   0.07     0.02  -0.12  -0.08    -0.00  -0.09  -0.07
    16   1    -0.02   0.06   0.06     0.04   0.08  -0.03     0.03   0.08  -0.00
    17   1     0.10   0.03  -0.03    -0.07  -0.04   0.10    -0.05  -0.06   0.11
    18   1    -0.02  -0.06  -0.06    -0.04   0.08  -0.03     0.03  -0.08   0.00
    19   1     0.10  -0.02   0.03     0.07  -0.04   0.10    -0.05   0.06  -0.11
    20   1    -0.08   0.07  -0.01     0.00   0.04   0.05    -0.00  -0.04  -0.04
    21   1     0.01  -0.01  -0.07    -0.02  -0.11  -0.08    -0.00   0.09   0.07
    22   1     0.10  -0.00  -0.01     0.23  -0.08   0.13    -0.15   0.03  -0.06
    23   1     0.16   0.03   0.15     0.21  -0.02   0.21    -0.18   0.01  -0.18
    24   1    -0.00  -0.16  -0.14    -0.06  -0.20  -0.07     0.07   0.17   0.03
    25   1    -0.00  -0.08  -0.08    -0.12  -0.21  -0.23     0.11   0.20   0.22
    26   1     0.15  -0.15   0.32    -0.06   0.03  -0.03     0.10  -0.11   0.19
    27   1     0.17  -0.01   0.19    -0.03   0.02  -0.02     0.11  -0.03   0.14
    28   1    -0.00   0.16   0.14     0.06  -0.20  -0.07     0.07  -0.17  -0.03
    29   1    -0.00   0.08   0.08     0.12  -0.21  -0.23     0.11  -0.20  -0.22
    30   1     0.10   0.01   0.01    -0.23  -0.08   0.13    -0.15  -0.03   0.06
    31   1     0.16  -0.03  -0.15    -0.21  -0.02   0.21    -0.18  -0.01   0.18
    32   1    -0.06  -0.04   0.03    -0.01   0.01  -0.02    -0.06  -0.02   0.01
    33   1     0.09   0.07  -0.10    -0.04  -0.01   0.02     0.08   0.07  -0.06
    34   1     0.09  -0.07   0.10     0.04  -0.01   0.02     0.08  -0.07   0.06
    35   1    -0.06   0.04  -0.03     0.01   0.01  -0.02    -0.06   0.02  -0.01
    36   1     0.17   0.01  -0.19     0.03   0.02  -0.02     0.11   0.03  -0.13
    37   1     0.15   0.15  -0.32     0.06   0.03  -0.03     0.10   0.11  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.8886               543.5647               554.4367
 Red. masses --      1.6846                 1.7181                 1.7983
 Frc consts  --      0.2861                 0.2991                 0.3257
 IR Inten    --      2.7066                 2.4561                 1.6797
 RamAct Fr= 1--      0.7950                 0.2333                 0.0943
  Dep-P Fr= 1--      0.2147                 0.7496                 0.7497
  Dep-U Fr= 1--      0.3536                 0.8569                 0.8569
 Alpha2 Fr= 1--      0.0104                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0468                 0.0333                 0.0135
 AlphaG Fr= 1--     -0.0177                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.7096                -0.6307                 0.1739
 Delta2 Fr= 1--      0.3912                -0.1510                 0.0988
 Raman1 Fr= 1--       3.180                  0.933                  0.377
 ROA1   Fr= 1--      80.635                -65.377                 19.859
 CID1   Fr= 1--      25.358                -70.062                 52.654
 Raman2 Fr= 1--       0.562                  0.400                  0.162
 ROA2   Fr= 1--      13.900                -13.928                  3.385
 CID2   Fr= 1--      24.728                -34.838                 20.944
 Raman3 Fr= 1--       1.124                  0.800                  0.323
 ROA3   Fr= 1--      80.635                -65.377                 19.859
 CID3   Fr= 1--      71.722                -81.762                 61.445
 RC180  Fr= 1--      -0.293                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.08   0.01   0.09    -0.01  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.08   0.01   0.08     0.01  -0.00  -0.01
     3   7     0.02   0.02  -0.03     0.00   0.08  -0.08    -0.01  -0.02   0.02
     4  45    -0.01   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.01  -0.03
     5   7    -0.03   0.02   0.07    -0.01  -0.01   0.02    -0.04   0.01   0.08
     6   6     0.08   0.03  -0.02     0.00   0.00  -0.00     0.08   0.02  -0.02
     7   6     0.02  -0.08  -0.02     0.00  -0.00  -0.00     0.02  -0.09  -0.01
     8   7    -0.03   0.02   0.07     0.01   0.02   0.02    -0.03   0.02   0.07
     9   7     0.02  -0.02   0.03    -0.00   0.08  -0.08     0.01  -0.02   0.01
    10   7    -0.03  -0.02  -0.07     0.01  -0.01   0.03     0.04   0.01   0.08
    11   6     0.08  -0.03   0.02    -0.01   0.00  -0.00    -0.08   0.02  -0.02
    12   6     0.02   0.08   0.02    -0.00  -0.00  -0.00    -0.02  -0.09  -0.01
    13   7    -0.03  -0.02  -0.07    -0.01   0.02   0.02     0.03   0.02   0.07
    14   1     0.24   0.13  -0.14     0.04   0.03  -0.02     0.26   0.13  -0.14
    15   1    -0.13   0.07  -0.14    -0.03  -0.00  -0.03    -0.15   0.06  -0.16
    16   1     0.01  -0.28  -0.13    -0.01  -0.04  -0.02     0.02  -0.29  -0.13
    17   1    -0.13   0.08  -0.14    -0.01   0.03  -0.04    -0.13   0.08  -0.14
    18   1     0.01   0.28   0.13     0.01  -0.04  -0.02    -0.02  -0.29  -0.13
    19   1    -0.12  -0.08   0.14     0.01   0.03  -0.04     0.13   0.08  -0.14
    20   1     0.24  -0.12   0.14    -0.04   0.03  -0.02    -0.26   0.13  -0.15
    21   1    -0.12  -0.07   0.14     0.03  -0.00  -0.03     0.15   0.06  -0.16
    22   1    -0.10  -0.01   0.10     0.01   0.05  -0.10     0.10   0.00  -0.10
    23   1    -0.17  -0.08  -0.15     0.12   0.02   0.09     0.17   0.08   0.16
    24   1    -0.07  -0.07   0.15     0.01   0.01  -0.03     0.04   0.09  -0.06
    25   1    -0.18  -0.14  -0.18     0.03   0.05   0.05     0.12   0.06   0.13
    26   1     0.00  -0.01  -0.02    -0.02   0.11  -0.31     0.03  -0.04   0.13
    27   1     0.05  -0.05   0.04    -0.06  -0.17  -0.06    -0.03   0.09  -0.00
    28   1    -0.07   0.07  -0.15    -0.01   0.01  -0.03    -0.04   0.09  -0.06
    29   1    -0.18   0.14   0.18    -0.02   0.05   0.05    -0.12   0.05   0.13
    30   1    -0.10   0.01  -0.10    -0.01   0.05  -0.10    -0.10   0.00  -0.10
    31   1    -0.17   0.08   0.15    -0.12   0.02   0.08    -0.17   0.07   0.16
    32   1    -0.00  -0.00   0.00     0.33  -0.10   0.27    -0.06   0.02  -0.04
    33   1     0.02   0.01  -0.01    -0.01  -0.26  -0.13     0.02   0.06   0.02
    34   1     0.02  -0.01   0.01     0.01  -0.26  -0.13    -0.02   0.06   0.02
    35   1    -0.00   0.00  -0.00    -0.33  -0.11   0.27     0.06   0.02  -0.04
    36   1     0.05   0.05  -0.04     0.06  -0.17  -0.06     0.03   0.09  -0.00
    37   1     0.00   0.01   0.02     0.02   0.11  -0.31    -0.03  -0.04   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    683.7310               691.0945               713.7975
 Red. masses --      1.2952                 1.2974                 1.3007
 Frc consts  --      0.3567                 0.3651                 0.3905
 IR Inten    --      2.5754                 0.0341                 0.5316
 RamAct Fr= 1--      0.6247                 1.6696                 0.8898
  Dep-P Fr= 1--      0.7499                 0.0590                 0.5927
  Dep-U Fr= 1--      0.8571                 0.1114                 0.7443
 Alpha2 Fr= 1--      0.0000                 0.0323                 0.0026
 Beta2  Fr= 1--      0.0892                 0.0310                 0.1104
 AlphaG Fr= 1--     -0.0000                -0.0041                -0.1219
 Gamma2 Fr= 1--      4.3422                 3.4101                -4.8618
 Delta2 Fr= 1--     -0.0719                -0.1352                 0.3254
 Raman1 Fr= 1--       2.499                  6.678                  3.559
 ROA1   Fr= 1--     414.551                323.038               -456.325
 CID1   Fr= 1--     165.891                 48.371               -128.213
 Raman2 Fr= 1--       1.071                  0.372                  1.324
 ROA2   Fr= 1--     104.788                 82.923               -119.287
 CID2   Fr= 1--      97.853                222.952                -90.066
 Raman3 Fr= 1--       2.142                  0.744                  2.649
 ROA3   Fr= 1--     414.551                323.038               -456.325
 CID3   Fr= 1--     193.556                434.267               -172.271
 RC180  Fr= 1--       0.714                 -0.777                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.02   0.00   0.01    -0.00   0.01   0.01
     2   6    -0.01  -0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.01  -0.01
     3   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.07    -0.01  -0.04  -0.04
     4  45    -0.00   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.05  -0.03   0.01    -0.03   0.02  -0.01     0.05  -0.04   0.02
     6   6     0.00  -0.02  -0.01    -0.01   0.00  -0.01    -0.00  -0.02  -0.00
     7   6    -0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.00   0.00
     8   7    -0.07   0.02  -0.03     0.04  -0.02   0.01    -0.05   0.02  -0.01
     9   7     0.01  -0.01  -0.02    -0.01   0.05   0.07    -0.01   0.04   0.04
    10   7    -0.05  -0.03   0.01    -0.03  -0.02   0.01     0.05   0.04  -0.02
    11   6    -0.00  -0.02  -0.01    -0.01  -0.00   0.01    -0.00   0.02   0.00
    12   6     0.01  -0.00  -0.00     0.01  -0.01   0.01    -0.02   0.00  -0.00
    13   7     0.07   0.02  -0.03     0.04   0.02  -0.01    -0.05  -0.02   0.01
    14   1     0.05   0.05  -0.01    -0.08  -0.06   0.03     0.05   0.06  -0.02
    15   1    -0.05   0.01  -0.02     0.08  -0.02   0.04    -0.08   0.01  -0.04
    16   1     0.03   0.12   0.02    -0.02  -0.01   0.01     0.01   0.09   0.03
    17   1     0.06  -0.08   0.06    -0.00   0.01  -0.01     0.05  -0.06   0.03
    18   1    -0.03   0.12   0.02    -0.02   0.01  -0.01     0.01  -0.09  -0.03
    19   1    -0.06  -0.08   0.06    -0.00  -0.01   0.01     0.05   0.06  -0.04
    20   1    -0.05   0.05  -0.01    -0.08   0.06  -0.03     0.05  -0.06   0.02
    21   1     0.05   0.01  -0.02     0.08   0.02  -0.04    -0.08  -0.01   0.04
    22   1    -0.05   0.09  -0.27    -0.03   0.07  -0.18     0.07  -0.12   0.29
    23   1     0.21   0.04   0.15     0.14   0.04   0.12    -0.22  -0.06  -0.17
    24   1    -0.10   0.13   0.34    -0.04   0.08   0.18     0.05  -0.09  -0.23
    25   1    -0.19  -0.21  -0.21    -0.08  -0.12  -0.10     0.13   0.13   0.14
    26   1     0.04  -0.03   0.10    -0.09   0.10  -0.35    -0.05   0.07  -0.24
    27   1    -0.07   0.09  -0.04     0.17  -0.33   0.13     0.10  -0.24   0.09
    28   1     0.10   0.14   0.34    -0.04  -0.07  -0.18     0.05   0.09   0.23
    29   1     0.19  -0.21  -0.22    -0.08   0.12   0.10     0.13  -0.13  -0.14
    30   1     0.05   0.09  -0.27    -0.03  -0.07   0.18     0.07   0.12  -0.28
    31   1    -0.21   0.04   0.15     0.14  -0.04  -0.11    -0.22   0.06   0.17
    32   1    -0.01  -0.01   0.03     0.11  -0.02   0.03     0.09  -0.01   0.03
    33   1     0.02   0.00   0.00    -0.03  -0.08  -0.07    -0.03  -0.06  -0.04
    34   1    -0.02   0.00   0.00    -0.04   0.08   0.07    -0.03   0.06   0.04
    35   1     0.01  -0.01   0.03     0.11   0.02  -0.03     0.09   0.01  -0.03
    36   1     0.07   0.08  -0.04     0.17   0.34  -0.14     0.10   0.25  -0.09
    37   1    -0.03  -0.03   0.10    -0.09  -0.10   0.35    -0.05  -0.07   0.25
                     28                     29                     30
                      A                      A                      A
 Frequencies --    720.9487               754.9434               772.1579
 Red. masses --      1.4475                 1.4147                 1.4460
 Frc consts  --      0.4433                 0.4750                 0.5080
 IR Inten    --      7.3762                 8.1455                17.6844
 RamAct Fr= 1--      0.0444                 1.0288                 0.7565
  Dep-P Fr= 1--      0.7497                 0.7500                 0.7497
  Dep-U Fr= 1--      0.8569                 0.8571                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0063                 0.1470                 0.1081
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0004
 Gamma2 Fr= 1--     -0.2402                 2.7953                -2.3358
 Delta2 Fr= 1--     -0.0116                 0.0779                 0.0079
 Raman1 Fr= 1--       0.177                  4.115                  3.026
 ROA1   Fr= 1--     -23.432                270.838               -223.981
 CID1   Fr= 1--    -132.073                 65.815                -74.014
 Raman2 Fr= 1--       0.076                  1.764                  1.297
 ROA2   Fr= 1--      -5.672                 66.463                -56.122
 CID2   Fr= 1--     -74.610                 37.685                -43.283
 Raman3 Fr= 1--       0.152                  3.527                  2.593
 ROA3   Fr= 1--     -23.432                270.838               -223.981
 CID3   Fr= 1--    -154.123                 76.784                -86.371
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.01     0.02   0.01   0.04     0.01   0.00  -0.00
     2   6    -0.02   0.02   0.01    -0.02   0.01   0.04     0.01  -0.00   0.00
     3   7     0.01  -0.01  -0.04    -0.03  -0.05  -0.08     0.00   0.01   0.00
     4  45     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.02  -0.00  -0.00
     5   7    -0.05   0.07  -0.02     0.01   0.00  -0.00     0.06  -0.04   0.01
     6   6     0.04   0.01  -0.01    -0.02  -0.00  -0.01    -0.03   0.00  -0.01
     7   6     0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
     8   7    -0.06   0.01  -0.01     0.04  -0.03   0.00     0.07  -0.03   0.02
     9   7    -0.01  -0.01  -0.04     0.03  -0.05  -0.08     0.00  -0.01  -0.00
    10   7     0.05   0.07  -0.02    -0.01   0.00  -0.00     0.06   0.04  -0.01
    11   6    -0.04   0.01  -0.01     0.02  -0.00  -0.01    -0.03  -0.00   0.01
    12   6    -0.02  -0.03  -0.01     0.00   0.01  -0.01    -0.01  -0.04   0.01
    13   7     0.06   0.01  -0.01    -0.04  -0.03   0.00     0.07   0.03  -0.02
    14   1     0.06  -0.06  -0.06    -0.09  -0.03   0.04    -0.13   0.03   0.10
    15   1     0.01   0.04   0.01     0.06  -0.02   0.03     0.06  -0.05   0.01
    16   1     0.07  -0.07  -0.07    -0.04   0.03   0.04    -0.09   0.09   0.10
    17   1    -0.05  -0.00  -0.01     0.03  -0.01   0.00     0.07  -0.01   0.01
    18   1    -0.06  -0.07  -0.07     0.04   0.03   0.04    -0.09  -0.09  -0.10
    19   1     0.05  -0.00  -0.01    -0.03  -0.01   0.00     0.07   0.01  -0.01
    20   1    -0.06  -0.06  -0.06     0.09  -0.03   0.04    -0.13  -0.03  -0.10
    21   1    -0.01   0.04   0.01    -0.06  -0.02   0.03     0.06   0.05  -0.01
    22   1     0.11  -0.17   0.34    -0.03   0.03  -0.02     0.10  -0.14   0.28
    23   1    -0.27  -0.03  -0.20     0.04  -0.03   0.01    -0.23  -0.01  -0.16
    24   1    -0.07   0.15   0.22     0.04  -0.08  -0.17    -0.08   0.17   0.30
    25   1    -0.10  -0.16  -0.12     0.08   0.11   0.10    -0.14  -0.21  -0.18
    26   1     0.07  -0.02   0.09     0.13  -0.10   0.35     0.00  -0.01   0.04
    27   1    -0.08   0.09  -0.06    -0.24   0.35  -0.16    -0.02   0.04  -0.01
    28   1     0.07   0.15   0.22    -0.04  -0.08  -0.17    -0.08  -0.17  -0.30
    29   1     0.10  -0.16  -0.12    -0.08   0.11   0.10    -0.14   0.21   0.18
    30   1    -0.11  -0.17   0.34     0.03   0.03  -0.02     0.10   0.14  -0.28
    31   1     0.27  -0.03  -0.20    -0.04  -0.03   0.01    -0.23   0.01   0.16
    32   1     0.08  -0.03   0.11     0.01  -0.05   0.16    -0.01   0.00  -0.01
    33   1    -0.01  -0.07  -0.07     0.04  -0.01  -0.05     0.01   0.01   0.01
    34   1     0.01  -0.07  -0.07    -0.04  -0.01  -0.05     0.01  -0.01  -0.01
    35   1    -0.08  -0.03   0.11    -0.01  -0.05   0.16    -0.01  -0.00   0.01
    36   1     0.08   0.09  -0.06     0.24   0.35  -0.16    -0.02  -0.04   0.01
    37   1    -0.07  -0.02   0.09    -0.13  -0.10   0.35     0.00   0.01  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2216               866.9085               867.4157
 Red. masses --      3.1238                 3.1664                 2.7772
 Frc consts  --      1.3810                 1.4020                 1.2312
 IR Inten    --     10.8397                 8.7066                 2.8453
 RamAct Fr= 1--      0.3961                 1.4998                 4.9589
  Dep-P Fr= 1--      0.7500                 0.7476                 0.1876
  Dep-U Fr= 1--      0.8571                 0.8556                 0.3160
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0696
 Beta2  Fr= 1--      0.0566                 0.2139                 0.2612
 AlphaG Fr= 1--      0.0000                 0.0008                -0.0475
 Gamma2 Fr= 1--      0.8395                 0.5187                 2.0225
 Delta2 Fr= 1--      0.8337                 0.3545                -0.0929
 Raman1 Fr= 1--       1.584                  5.999                 19.836
 ROA1   Fr= 1--     107.266                 61.135                191.185
 CID1   Fr= 1--      67.707                 10.191                  9.638
 Raman2 Fr= 1--       0.679                  2.566                  3.134
 ROA2   Fr= 1--      13.478                  9.612                 49.282
 CID2   Fr= 1--      19.851                  3.745                 15.726
 Raman3 Fr= 1--       1.358                  5.133                  6.268
 ROA3   Fr= 1--     107.266                 61.135                191.185
 CID3   Fr= 1--      78.992                 11.910                 30.503
 RC180  Fr= 1--       0.714                  0.711                 -0.368
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.02     0.15   0.02   0.12    -0.04  -0.01  -0.03
     2   6    -0.01   0.04  -0.02     0.15  -0.02  -0.12    -0.04   0.01   0.03
     3   7     0.04  -0.03   0.01    -0.11   0.06  -0.06     0.03  -0.01   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.11  -0.07    -0.03  -0.09  -0.07     0.00   0.02   0.03
     6   6     0.15   0.06  -0.00     0.10   0.05   0.02     0.10   0.02  -0.10
     7   6    -0.03   0.16   0.03    -0.02   0.11   0.04    -0.00   0.09  -0.09
     8   7    -0.06  -0.06   0.05    -0.03  -0.03   0.02    -0.11  -0.10   0.10
     9   7    -0.03  -0.03   0.01    -0.11  -0.05   0.06     0.03   0.01  -0.02
    10   7     0.03  -0.12  -0.08    -0.02   0.08   0.06     0.00  -0.02  -0.04
    11   6    -0.16   0.06  -0.00     0.09  -0.04  -0.02     0.10  -0.02   0.10
    12   6     0.03   0.17   0.04    -0.02  -0.09  -0.04    -0.00  -0.09   0.09
    13   7     0.06  -0.06   0.05    -0.02   0.02  -0.01    -0.11   0.10  -0.10
    14   1     0.08  -0.03   0.02     0.09  -0.02  -0.01    -0.15  -0.07   0.11
    15   1     0.25  -0.09  -0.07     0.13  -0.03  -0.04     0.43  -0.16  -0.05
    16   1    -0.05  -0.02  -0.05    -0.02  -0.07  -0.06    -0.07   0.23   0.07
    17   1    -0.28   0.24   0.07    -0.24   0.20   0.05     0.09  -0.06   0.05
    18   1     0.06  -0.02  -0.05    -0.02   0.06   0.05    -0.07  -0.23  -0.07
    19   1     0.29   0.25   0.07    -0.22  -0.18  -0.04     0.09   0.07  -0.05
    20   1    -0.08  -0.03   0.02     0.09   0.02   0.01    -0.15   0.07  -0.11
    21   1    -0.26  -0.09  -0.08     0.10   0.02   0.03     0.43   0.16   0.05
    22   1     0.10  -0.18  -0.15    -0.05   0.11   0.08    -0.09   0.10  -0.03
    23   1     0.07  -0.07  -0.04    -0.03   0.05   0.05    -0.04   0.03  -0.04
    24   1     0.11  -0.19   0.09    -0.05   0.10  -0.04    -0.07   0.07  -0.21
    25   1     0.03  -0.09   0.04    -0.01   0.06  -0.00     0.01   0.03  -0.05
    26   1     0.02  -0.03   0.05    -0.10  -0.04  -0.02     0.03   0.00   0.01
    27   1    -0.00  -0.00   0.01    -0.22  -0.14   0.05     0.05   0.04  -0.02
    28   1    -0.10  -0.19   0.09    -0.06  -0.12   0.05    -0.07  -0.07   0.21
    29   1    -0.03  -0.08   0.03    -0.02  -0.06   0.01     0.01  -0.03   0.05
    30   1    -0.09  -0.17  -0.14    -0.06  -0.13  -0.09    -0.09  -0.10   0.03
    31   1    -0.06  -0.06  -0.04    -0.03  -0.06  -0.05    -0.04  -0.03   0.04
    32   1     0.07  -0.03   0.09    -0.01   0.06   0.05    -0.01  -0.02  -0.01
    33   1    -0.02  -0.05  -0.14     0.07   0.05   0.37    -0.01  -0.01  -0.09
    34   1     0.01  -0.04  -0.11     0.07  -0.04  -0.36    -0.01   0.00   0.08
    35   1    -0.07  -0.02   0.10    -0.01  -0.06  -0.06    -0.01   0.02   0.01
    36   1     0.02  -0.01   0.01    -0.22   0.14  -0.06     0.05  -0.04   0.02
    37   1    -0.01  -0.03   0.05    -0.11   0.04   0.02     0.03  -0.01  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.8980               870.1582               875.9344
 Red. masses --      2.9020                 2.5180                 2.4938
 Frc consts  --      1.2909                 1.1233                 1.1273
 IR Inten    --      1.7552                 0.4588                 1.2362
 RamAct Fr= 1--      6.0398                 3.1775                 0.3299
  Dep-P Fr= 1--      0.0816                 0.7476                 0.7499
  Dep-U Fr= 1--      0.1510                 0.8556                 0.8571
 Alpha2 Fr= 1--      0.1106                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1520                 0.4531                 0.0471
 AlphaG Fr= 1--     -0.0649                -0.0001                 0.0000
 Gamma2 Fr= 1--     -0.3878                -1.5902                 0.2668
 Delta2 Fr= 1--     -1.5203                -0.6953                -0.0728
 Raman1 Fr= 1--      24.159                 12.710                  1.320
 ROA1   Fr= 1--     -85.876               -174.907                 23.288
 CID1   Fr= 1--      -3.555                -13.761                 17.649
 Raman2 Fr= 1--       1.824                  5.437                  0.565
 ROA2   Fr= 1--       2.856                -32.602                  6.987
 CID2   Fr= 1--       1.566                 -5.996                 12.355
 Raman3 Fr= 1--       3.647                 10.874                  1.131
 ROA3   Fr= 1--     -85.876               -174.907                 23.288
 CID3   Fr= 1--     -23.546                -16.084                 20.591
 RC180  Fr= 1--      -0.698                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09    -0.01  -0.13   0.07    -0.00  -0.04   0.03
     2   6     0.11  -0.02  -0.08     0.00  -0.13   0.08    -0.00  -0.04   0.03
     3   7    -0.09   0.05  -0.03    -0.11   0.10  -0.07    -0.04   0.02  -0.04
     4  45     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.01
     5   7     0.03   0.12   0.08    -0.01   0.01   0.00    -0.03  -0.08  -0.08
     6   6    -0.07  -0.04  -0.06     0.04   0.02  -0.04    -0.02   0.01   0.11
     7   6     0.03  -0.10  -0.08     0.00   0.04  -0.02    -0.01  -0.01   0.11
     8   7    -0.01   0.00   0.02    -0.04  -0.04   0.04     0.06   0.07  -0.09
     9   7    -0.08  -0.04   0.03     0.12   0.10  -0.07     0.04   0.02  -0.04
    10   7     0.03  -0.12  -0.09     0.01   0.02   0.00     0.03  -0.08  -0.08
    11   6    -0.08   0.04   0.06    -0.04   0.02  -0.04     0.02   0.01   0.11
    12   6     0.03   0.10   0.08    -0.00   0.04  -0.03     0.01  -0.01   0.11
    13   7    -0.01  -0.00  -0.01     0.04  -0.04   0.04    -0.06   0.07  -0.09
    14   1    -0.17  -0.02   0.05    -0.07  -0.06   0.04     0.24   0.05  -0.13
    15   1     0.03  -0.02   0.04     0.19  -0.05  -0.00    -0.32   0.14   0.02
    16   1    -0.00   0.14   0.09    -0.03   0.04   0.01     0.09  -0.22  -0.12
    17   1     0.30  -0.25  -0.04    -0.01   0.01   0.01    -0.25   0.17   0.01
    18   1     0.00  -0.14  -0.09     0.03   0.04   0.01    -0.09  -0.22  -0.12
    19   1     0.30   0.25   0.04    -0.00   0.01   0.01     0.25   0.17   0.01
    20   1    -0.17   0.01  -0.05     0.07  -0.06   0.04    -0.24   0.05  -0.13
    21   1     0.02   0.01  -0.04    -0.19  -0.05  -0.00     0.32   0.14   0.02
    22   1     0.03  -0.10  -0.15     0.04  -0.05   0.06    -0.03  -0.02  -0.06
    23   1     0.03  -0.03  -0.05    -0.00  -0.05  -0.03    -0.04  -0.01  -0.09
    24   1     0.05  -0.13  -0.02     0.03  -0.02   0.06    -0.04   0.01  -0.07
    25   1     0.02  -0.05  -0.01     0.02  -0.03   0.03    -0.04  -0.02  -0.10
    26   1    -0.09  -0.04   0.02    -0.01   0.09  -0.08     0.00   0.01   0.03
    27   1    -0.17  -0.06   0.02     0.01   0.10  -0.09    -0.02   0.10  -0.06
    28   1     0.04   0.13   0.02    -0.03  -0.02   0.06     0.04   0.01  -0.07
    29   1     0.02   0.05   0.01    -0.02  -0.03   0.03     0.04  -0.02  -0.10
    30   1     0.03   0.10   0.15    -0.04  -0.05   0.06     0.03  -0.02  -0.06
    31   1     0.03   0.02   0.05     0.00  -0.05  -0.03     0.04  -0.01  -0.09
    32   1    -0.05   0.05   0.02    -0.22   0.07  -0.29    -0.08   0.01  -0.05
    33   1     0.06   0.06   0.31     0.05   0.15   0.41     0.02   0.05   0.12
    34   1     0.06  -0.05  -0.28    -0.06   0.15   0.44    -0.02   0.05   0.13
    35   1    -0.03  -0.04  -0.04     0.22   0.07  -0.29     0.08   0.01  -0.05
    36   1    -0.17   0.07  -0.03     0.00   0.09  -0.08     0.02   0.09  -0.06
    37   1    -0.09   0.05  -0.02     0.02   0.08  -0.08    -0.00   0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.0490               982.9576               983.3173
 Red. masses --      2.2022                 2.2255                 2.2179
 Frc consts  --      1.2488                 1.2669                 1.2635
 IR Inten    --      9.7356                 1.1075                 0.0123
 RamAct Fr= 1--      0.6740                 2.9612                 3.3342
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7493
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8567
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0963                 0.4230                 0.4760
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0006
 Gamma2 Fr= 1--     -0.2392                 1.3742                -0.4979
 Delta2 Fr= 1--     -0.3396                 0.5578                -1.3016
 Raman1 Fr= 1--       2.696                 11.845                 13.337
 ROA1   Fr= 1--     -33.832                149.773                -89.449
 CID1   Fr= 1--     -12.548                 12.645                 -6.707
 Raman2 Fr= 1--       1.155                  5.076                  5.713
 ROA2   Fr= 1--      -3.024                 28.519                 -1.537
 CID2   Fr= 1--      -2.617                  5.618                 -0.269
 Raman3 Fr= 1--       2.311                 10.153                 11.425
 ROA3   Fr= 1--     -33.832                149.773                -89.449
 CID3   Fr= 1--     -14.640                 14.752                 -7.829
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.00  -0.00    -0.20  -0.01  -0.00     0.00  -0.00   0.00
     2   6     0.06  -0.00  -0.00     0.20  -0.01   0.00     0.00   0.00  -0.00
     3   7    -0.03   0.01   0.00    -0.09   0.02  -0.01    -0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.03  -0.06  -0.02     0.01   0.02   0.00     0.04   0.06   0.02
     6   6     0.07   0.12  -0.00    -0.02  -0.04   0.01    -0.08  -0.13  -0.00
     7   6    -0.07  -0.12   0.01     0.01   0.03  -0.01     0.07   0.13  -0.00
     8   7     0.03   0.06  -0.02    -0.01  -0.02   0.01    -0.03  -0.06   0.02
     9   7     0.02   0.01   0.00     0.09   0.02  -0.01    -0.00   0.00  -0.00
    10   7     0.03  -0.06  -0.02    -0.01   0.02   0.00     0.04  -0.06  -0.02
    11   6    -0.07   0.12   0.00     0.02  -0.04   0.01    -0.08   0.12   0.00
    12   6     0.07  -0.12   0.01    -0.01   0.04  -0.01     0.07  -0.13   0.00
    13   7    -0.03   0.06  -0.02     0.01  -0.02   0.01    -0.03   0.06  -0.02
    14   1    -0.16   0.01   0.17     0.07   0.03  -0.05     0.15  -0.01  -0.17
    15   1     0.25   0.12   0.14    -0.10  -0.04  -0.06    -0.26  -0.14  -0.15
    16   1    -0.09   0.12   0.17     0.03   0.01  -0.04     0.08  -0.14  -0.17
    17   1     0.02  -0.26   0.14     0.02   0.05  -0.03    -0.02   0.29  -0.16
    18   1     0.09   0.12   0.17    -0.03   0.01  -0.04     0.08   0.13   0.17
    19   1    -0.02  -0.27   0.14    -0.02   0.05  -0.03    -0.02  -0.29   0.16
    20   1     0.16   0.01   0.18    -0.07   0.03  -0.05     0.14   0.01   0.17
    21   1    -0.25   0.12   0.14     0.10  -0.04  -0.06    -0.25   0.13   0.15
    22   1     0.12  -0.16  -0.04    -0.02   0.03  -0.01     0.12  -0.16  -0.03
    23   1     0.09  -0.09  -0.00    -0.05   0.07   0.01     0.10  -0.10  -0.01
    24   1    -0.08   0.19  -0.05     0.03  -0.08   0.02    -0.08   0.19  -0.03
    25   1    -0.02   0.11  -0.00    -0.01  -0.00   0.00    -0.04   0.14  -0.01
    26   1     0.06   0.01   0.00     0.19   0.03   0.05     0.00   0.00  -0.00
    27   1     0.07   0.01   0.01     0.26   0.06   0.01     0.01  -0.01   0.00
    28   1     0.08   0.19  -0.05    -0.03  -0.08   0.02    -0.08  -0.19   0.03
    29   1     0.02   0.11  -0.00     0.01  -0.00   0.00    -0.04  -0.14   0.01
    30   1    -0.12  -0.16  -0.04     0.01   0.02  -0.01     0.12   0.16   0.03
    31   1    -0.09  -0.09  -0.00     0.05   0.07   0.01     0.10   0.10   0.01
    32   1     0.03  -0.04   0.07     0.10  -0.15   0.25    -0.00  -0.00   0.00
    33   1    -0.10  -0.08  -0.04    -0.33  -0.27  -0.12    -0.00  -0.00   0.01
    34   1     0.10  -0.08  -0.04     0.33  -0.27  -0.12    -0.00   0.00  -0.01
    35   1    -0.03  -0.04   0.07    -0.10  -0.15   0.25    -0.00   0.00  -0.00
    36   1    -0.07   0.01   0.01    -0.26   0.06   0.01     0.01   0.01  -0.00
    37   1    -0.06   0.01   0.00    -0.19   0.03   0.04     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    999.5208              1001.8754              1006.9001
 Red. masses --      1.2517                 1.2631                 1.2633
 Frc consts  --      0.7368                 0.7470                 0.7546
 IR Inten    --      2.5659                 8.2692                 9.5285
 RamAct Fr= 1--      1.0705                 0.0868                 0.3403
  Dep-P Fr= 1--      0.0948                 0.7494                 0.3925
  Dep-U Fr= 1--      0.1732                 0.8567                 0.5638
 Alpha2 Fr= 1--      0.0190                 0.0000                 0.0026
 Beta2  Fr= 1--      0.0309                 0.0124                 0.0320
 AlphaG Fr= 1--     -0.0144                -0.0000                 0.0940
 Gamma2 Fr= 1--      1.9766                 1.2111                -1.6448
 Delta2 Fr= 1--      0.0323                -0.1087                 0.0368
 Raman1 Fr= 1--       4.282                  0.347                  1.361
 ROA1   Fr= 1--     190.784                112.792               -156.722
 CID1   Fr= 1--      44.555                324.833               -115.134
 Raman2 Fr= 1--       0.371                  0.149                  0.384
 ROA2   Fr= 1--      47.179                 29.937                -39.770
 CID2   Fr= 1--     127.208                201.267               -103.645
 Raman3 Fr= 1--       0.742                  0.297                  0.767
 ROA3   Fr= 1--     190.784                112.792               -156.722
 CID3   Fr= 1--     257.202                379.151               -204.219
 RC180  Fr= 1--      -0.654                  0.713                  0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07   0.04     0.02  -0.00   0.00    -0.01   0.05   0.03
     2   6    -0.02  -0.07  -0.04    -0.02  -0.00   0.00    -0.01  -0.05  -0.03
     3   7    -0.00   0.02   0.00     0.01  -0.00  -0.01    -0.01   0.02   0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00  -0.00   0.01    -0.01   0.00  -0.01    -0.01   0.01  -0.01
     6   6    -0.02   0.03  -0.03     0.04  -0.04   0.04     0.03  -0.03   0.04
     7   6     0.04  -0.01   0.02    -0.06   0.00  -0.05    -0.04   0.01  -0.04
     8   7    -0.01  -0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.01
     9   7    -0.00  -0.02  -0.00    -0.01  -0.00  -0.01    -0.01  -0.02  -0.00
    10   7     0.00   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    11   6    -0.02  -0.03   0.03    -0.04  -0.04   0.04     0.03   0.03  -0.04
    12   6     0.04   0.01  -0.02     0.06   0.00  -0.05    -0.04  -0.01   0.04
    13   7    -0.01   0.00   0.00    -0.00  -0.00   0.02     0.01   0.00  -0.01
    14   1    -0.13  -0.09   0.03     0.20   0.17  -0.01     0.17   0.14  -0.02
    15   1     0.12  -0.00   0.05    -0.18  -0.00  -0.09    -0.17   0.01  -0.07
    16   1    -0.02  -0.15  -0.01     0.04   0.27   0.02     0.04   0.22   0.00
    17   1    -0.05   0.09  -0.06     0.10  -0.18   0.10     0.08  -0.13   0.07
    18   1    -0.02   0.14   0.01    -0.04   0.27   0.03     0.05  -0.22  -0.01
    19   1    -0.05  -0.09   0.06    -0.10  -0.18   0.10     0.08   0.13  -0.07
    20   1    -0.13   0.09  -0.02    -0.20   0.17  -0.01     0.17  -0.14   0.02
    21   1     0.12   0.00  -0.05     0.18   0.00  -0.09    -0.17  -0.01   0.07
    22   1     0.08  -0.10  -0.02     0.13  -0.15  -0.03    -0.11   0.12   0.02
    23   1    -0.09   0.13  -0.00    -0.17   0.23  -0.01     0.13  -0.18   0.01
    24   1     0.04  -0.11   0.02     0.07  -0.18   0.04    -0.05   0.15  -0.02
    25   1    -0.08   0.15  -0.01    -0.12   0.27   0.00     0.09  -0.22  -0.01
    26   1     0.32   0.01   0.03     0.00  -0.00   0.01     0.24   0.00   0.04
    27   1    -0.22  -0.06  -0.03    -0.02   0.01  -0.01    -0.15  -0.03  -0.02
    28   1     0.04   0.12  -0.03    -0.07  -0.18   0.04    -0.05  -0.15   0.02
    29   1    -0.08  -0.16   0.01     0.12   0.27   0.00     0.09   0.22   0.01
    30   1     0.08   0.10   0.02    -0.13  -0.15  -0.03    -0.11  -0.12  -0.02
    31   1    -0.09  -0.14   0.00     0.17   0.23  -0.01     0.13   0.18  -0.01
    32   1     0.30   0.02   0.11    -0.01   0.01  -0.02     0.21   0.01   0.08
    33   1    -0.11  -0.16  -0.15     0.03   0.02   0.03    -0.08  -0.13  -0.10
    34   1    -0.11   0.16   0.15    -0.03   0.03   0.03    -0.08   0.12   0.10
    35   1     0.30  -0.02  -0.11     0.01   0.01  -0.03     0.21  -0.01  -0.08
    36   1    -0.23   0.06   0.03     0.01   0.01  -0.01    -0.15   0.03   0.02
    37   1     0.32  -0.01  -0.03     0.01  -0.00   0.01     0.24  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.9813              1049.0063              1049.9742
 Red. masses --      3.1900                 3.1931                 3.1436
 Frc consts  --      2.0681                 2.0702                 2.0419
 IR Inten    --     70.0807                49.1818                18.0325
 RamAct Fr= 1--      0.7801                 1.6899                 1.0540
  Dep-P Fr= 1--      0.7452                 0.5675                 0.1633
  Dep-U Fr= 1--      0.8540                 0.7241                 0.2807
 Alpha2 Fr= 1--      0.0001                 0.0058                 0.0158
 Beta2  Fr= 1--      0.1110                 0.2039                 0.0493
 AlphaG Fr= 1--      0.0006                 0.0520                 0.0164
 Gamma2 Fr= 1--     -0.8561                 0.4258                 0.3974
 Delta2 Fr= 1--     -1.8269                -0.1877                 0.4736
 Raman1 Fr= 1--       3.120                  6.760                  4.216
 ROA1   Fr= 1--    -140.644                 34.873                 53.311
 CID1   Fr= 1--     -45.074                  5.159                 12.645
 Raman2 Fr= 1--       1.332                  2.447                  0.592
 ROA2   Fr= 1--      -5.931                 11.722                  5.750
 CID2   Fr= 1--      -4.452                  4.790                  9.717
 Raman3 Fr= 1--       2.665                  4.894                  1.183
 ROA3   Fr= 1--    -140.644                 34.873                 53.311
 CID3   Fr= 1--     -52.782                  7.125                 45.047
 RC180  Fr= 1--       0.708                  0.448                 -0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.04   0.04  -0.09     0.09   0.10  -0.20
     2   6     0.00  -0.00   0.01     0.04  -0.04   0.09     0.09  -0.10   0.20
     3   7    -0.00   0.00  -0.00    -0.06   0.02  -0.01    -0.12   0.06  -0.02
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.06  -0.09  -0.05    -0.04  -0.07  -0.04     0.02   0.03   0.02
     6   6    -0.07   0.13   0.14    -0.05   0.10   0.10     0.03  -0.05  -0.05
     7   6     0.15   0.00  -0.14     0.11   0.01  -0.10    -0.05  -0.00   0.05
     8   7    -0.05  -0.09   0.06    -0.04  -0.07   0.04     0.02   0.03  -0.02
     9   7    -0.01  -0.00  -0.00    -0.06  -0.02   0.01    -0.12  -0.06   0.02
    10   7     0.05  -0.07  -0.04    -0.05   0.08   0.05     0.02  -0.03  -0.02
    11   6     0.06   0.11   0.11    -0.06  -0.12  -0.13     0.03   0.05   0.05
    12   6    -0.12   0.00  -0.12     0.14  -0.01   0.13    -0.06   0.00  -0.05
    13   7     0.04  -0.08   0.05    -0.04   0.09  -0.05     0.02  -0.03   0.02
    14   1    -0.05   0.23   0.16    -0.04   0.16   0.11     0.02  -0.09  -0.06
    15   1    -0.19   0.25   0.16    -0.15   0.19   0.12     0.08  -0.10  -0.07
    16   1     0.21   0.06  -0.16     0.16   0.05  -0.12    -0.09  -0.03   0.06
    17   1     0.33  -0.04  -0.17     0.24  -0.03  -0.13    -0.12   0.02   0.06
    18   1    -0.17   0.05  -0.13     0.20  -0.06   0.15    -0.09   0.03  -0.06
    19   1    -0.27  -0.04  -0.15     0.30   0.04   0.16    -0.13  -0.02  -0.07
    20   1     0.04   0.20   0.14    -0.05  -0.20  -0.14     0.02   0.09   0.06
    21   1     0.16   0.21   0.14    -0.19  -0.24  -0.15     0.08   0.11   0.07
    22   1    -0.07   0.08  -0.04     0.09  -0.10   0.05    -0.03   0.03  -0.02
    23   1    -0.01  -0.02  -0.05    -0.00   0.04   0.06     0.01  -0.02  -0.02
    24   1    -0.04   0.11   0.04     0.04  -0.12  -0.04    -0.01   0.03   0.02
    25   1     0.04  -0.03   0.06    -0.03   0.02  -0.06     0.01  -0.01   0.02
    26   1    -0.01  -0.01   0.01    -0.05  -0.03   0.02    -0.04  -0.06   0.05
    27   1     0.02  -0.00   0.00     0.10  -0.02   0.03     0.15  -0.04   0.05
    28   1     0.05   0.14   0.05     0.03   0.10   0.04    -0.01  -0.03  -0.02
    29   1    -0.04  -0.03   0.07    -0.02  -0.01   0.04     0.01   0.01  -0.02
    30   1     0.09   0.10  -0.05     0.07   0.08  -0.04    -0.03  -0.03   0.02
    31   1     0.01  -0.03  -0.06    -0.00  -0.03  -0.05     0.01   0.02   0.02
    32   1    -0.00   0.00  -0.01     0.06   0.05  -0.12     0.19   0.11  -0.24
    33   1     0.01   0.01  -0.02     0.08   0.05  -0.16     0.15   0.07  -0.41
    34   1     0.00  -0.00   0.01     0.08  -0.05   0.16     0.15  -0.07   0.41
    35   1     0.02  -0.01   0.02     0.06  -0.05   0.12     0.19  -0.11   0.24
    36   1    -0.00   0.00  -0.00     0.10   0.02  -0.03     0.15   0.04  -0.05
    37   1     0.00  -0.00   0.00    -0.05   0.03  -0.02    -0.04   0.06  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.6536              1114.7610              1122.3411
 Red. masses --      1.0219                 1.0233                 1.0312
 Frc consts  --      0.7481                 0.7492                 0.7653
 IR Inten    --      0.9855                 0.5359                 0.1790
 RamAct Fr= 1--      0.7465                 0.7495                 0.6007
  Dep-P Fr= 1--      0.7487                 0.7498                 0.7500
  Dep-U Fr= 1--      0.8563                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1065                 0.1071                 0.0858
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.8491                -0.5626                 0.1385
 Delta2 Fr= 1--      0.1488                -0.0907                -0.0607
 Raman1 Fr= 1--       2.986                  2.998                  2.403
 ROA1   Fr= 1--      86.277                -56.915                 11.350
 CID1   Fr= 1--      28.892                -18.985                  4.724
 Raman2 Fr= 1--       1.279                  1.285                  1.030
 ROA2   Fr= 1--      19.188                -12.777                  3.809
 CID2   Fr= 1--      15.008                 -9.946                  3.699
 Raman3 Fr= 1--       2.557                  2.569                  2.059
 ROA3   Fr= 1--      86.277                -56.915                 11.350
 CID3   Fr= 1--      33.741                -22.152                  5.511
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
     3   7    -0.01   0.00  -0.01     0.01  -0.01   0.01    -0.02   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.01   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   7     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.00   0.01
     9   7     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.00   0.00
    10   7    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    13   7     0.01  -0.00   0.00     0.01  -0.01   0.01     0.01  -0.00   0.01
    14   1    -0.05   0.26   0.18     0.00  -0.01  -0.01     0.04  -0.20  -0.14
    15   1     0.01  -0.15  -0.13    -0.00   0.02   0.01     0.01   0.09   0.09
    16   1    -0.25  -0.07   0.19     0.02   0.02  -0.01     0.18   0.06  -0.14
    17   1     0.12   0.05  -0.12     0.00  -0.00  -0.00    -0.07  -0.06   0.09
    18   1    -0.14   0.04  -0.11    -0.21   0.07  -0.16    -0.18   0.06  -0.14
    19   1     0.08  -0.03   0.08     0.09  -0.04   0.09     0.07  -0.06   0.09
    20   1    -0.03  -0.16  -0.11    -0.04  -0.21  -0.15    -0.04  -0.20  -0.14
    21   1     0.01   0.08   0.07     0.01   0.12   0.11    -0.01   0.09   0.09
    22   1    -0.06   0.07   0.05    -0.09   0.10   0.06    -0.10   0.12   0.07
    23   1     0.12  -0.20  -0.02     0.18  -0.27  -0.02     0.13  -0.22  -0.02
    24   1     0.03  -0.08   0.05     0.05  -0.15   0.07     0.05  -0.13   0.07
    25   1    -0.11   0.20  -0.02    -0.14   0.26  -0.03    -0.13   0.23  -0.03
    26   1    -0.16  -0.02   0.00     0.34   0.03  -0.00    -0.28  -0.02  -0.02
    27   1     0.11   0.05   0.00    -0.18  -0.10   0.00     0.08   0.06   0.00
    28   1     0.06   0.17  -0.09    -0.01  -0.03   0.01    -0.04  -0.13   0.07
    29   1    -0.17  -0.33   0.04     0.00   0.01   0.00     0.13   0.23  -0.03
    30   1    -0.11  -0.12  -0.08     0.01   0.01   0.00     0.10   0.12   0.07
    31   1     0.21   0.33   0.02    -0.02  -0.02  -0.00    -0.13  -0.22  -0.02
    32   1    -0.08  -0.05   0.10     0.19   0.11  -0.22    -0.14  -0.08   0.17
    33   1     0.04   0.03  -0.03    -0.11  -0.08   0.10     0.08   0.06  -0.10
    34   1    -0.06   0.04  -0.06     0.10  -0.08   0.09    -0.08   0.06  -0.10
    35   1     0.09  -0.05   0.10    -0.19   0.10  -0.22     0.14  -0.08   0.17
    36   1    -0.07   0.04  -0.00     0.20  -0.10  -0.00    -0.08   0.05   0.00
    37   1     0.16  -0.02   0.00    -0.34   0.03  -0.01     0.28  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1169.7392              1172.2164              1187.5741
 Red. masses --      1.0756                 1.0709                 1.0598
 Frc consts  --      0.8671                 0.8670                 0.8807
 IR Inten    --     75.6774                66.4289                 1.6260
 RamAct Fr= 1--      9.6823                10.0970                12.0938
  Dep-P Fr= 1--      0.7500                 0.7388                 0.2848
  Dep-U Fr= 1--      0.8571                 0.8498                 0.4433
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.1298
 Beta2  Fr= 1--      1.3832                 1.4300                 0.8936
 AlphaG Fr= 1--      0.0000                 0.0295                 0.2218
 Gamma2 Fr= 1--     -6.3420                -1.6250                 0.7598
 Delta2 Fr= 1--      2.5125                 5.0550                -6.4172
 Raman1 Fr= 1--      38.729                 40.388                 48.375
 ROA1   Fr= 1--    -528.432                  5.761               -132.405
 CID1   Fr= 1--     -13.644                  0.143                 -2.737
 Raman2 Fr= 1--      16.598                 17.160                 10.723
 ROA2   Fr= 1--    -172.309                -79.439                 69.574
 CID2   Fr= 1--     -10.381                 -4.629                  6.488
 Raman3 Fr= 1--      33.196                 34.321                 21.445
 ROA3   Fr= 1--    -528.432                  5.761               -132.405
 CID3   Fr= 1--     -15.919                  0.168                 -6.174
 RC180  Fr= 1--       0.714                  0.700                 -0.113
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7     0.00  -0.00  -0.00    -0.03   0.00   0.02    -0.03   0.01   0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
     8   7    -0.00  -0.04  -0.00    -0.00  -0.02   0.00    -0.00   0.03  -0.00
     9   7    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02    -0.03  -0.01  -0.01
    10   7     0.03  -0.02   0.00    -0.02   0.01  -0.00     0.01  -0.01  -0.01
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    13   7     0.00  -0.04  -0.00    -0.00   0.02  -0.00     0.00  -0.03   0.00
    14   1     0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    15   1     0.06  -0.22  -0.18     0.03  -0.14  -0.12    -0.01   0.17   0.15
    16   1     0.02   0.01  -0.01     0.03   0.01  -0.02    -0.01  -0.02   0.01
    17   1    -0.22  -0.06   0.19    -0.15  -0.04   0.13     0.17   0.06  -0.16
    18   1    -0.02   0.01  -0.01     0.03  -0.01   0.02    -0.01   0.02  -0.01
    19   1     0.21  -0.06   0.18    -0.16   0.04  -0.13     0.17  -0.06   0.16
    20   1    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.02   0.03   0.01
    21   1    -0.06  -0.22  -0.17     0.03   0.14   0.12    -0.01  -0.17  -0.15
    22   1    -0.20   0.28  -0.00     0.14  -0.20   0.01    -0.14   0.18   0.01
    23   1    -0.16   0.11  -0.04     0.11  -0.07   0.03    -0.10   0.07  -0.03
    24   1    -0.14   0.31   0.01     0.09  -0.21   0.01    -0.11   0.26  -0.01
    25   1    -0.02   0.20   0.03     0.02  -0.15  -0.03    -0.01   0.14   0.03
    26   1     0.04   0.00   0.01     0.20  -0.00   0.10     0.18  -0.00   0.08
    27   1     0.04  -0.00   0.00     0.35   0.01   0.04     0.32   0.01   0.04
    28   1     0.15   0.32   0.01     0.09   0.20  -0.01    -0.11  -0.26   0.01
    29   1     0.02   0.21   0.04     0.02   0.15   0.02    -0.01  -0.14  -0.03
    30   1     0.20   0.28  -0.00     0.13   0.19  -0.01    -0.13  -0.18  -0.01
    31   1     0.16   0.12  -0.04     0.10   0.07  -0.02    -0.10  -0.07   0.03
    32   1     0.00   0.01  -0.02     0.02   0.01  -0.02     0.01   0.01  -0.02
    33   1    -0.01  -0.02   0.02    -0.17  -0.12   0.23    -0.16  -0.12   0.20
    34   1     0.01  -0.01   0.01    -0.17   0.12  -0.23    -0.16   0.12  -0.20
    35   1    -0.00   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.01   0.02
    36   1    -0.03  -0.01   0.00     0.35  -0.01  -0.04     0.32  -0.01  -0.04
    37   1    -0.03   0.00   0.00     0.20   0.00  -0.10     0.18   0.00  -0.08
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1220.9687              1225.8555              1244.6043
 Red. masses --      1.2511                 1.2539                 1.2432
 Frc consts  --      1.0989                 1.1102                 1.1346
 IR Inten    --     10.0385                 4.2227                23.5377
 RamAct Fr= 1--      8.3600                 7.9439                 1.0021
  Dep-P Fr= 1--      0.7450                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8539                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0000
 Beta2  Fr= 1--      1.1897                 1.1348                 0.1432
 AlphaG Fr= 1--     -0.0011                -0.0000                 0.0000
 Gamma2 Fr= 1--      4.4327                -0.1490                -0.1510
 Delta2 Fr= 1--      1.1349                -0.0674                -0.1717
 Raman1 Fr= 1--      33.440                 31.775                  4.008
 ROA1   Fr= 1--     461.860                -16.463                -19.990
 CID1   Fr= 1--      13.812                 -0.518                 -4.987
 Raman2 Fr= 1--      14.277                 13.618                  1.718
 ROA2   Fr= 1--      97.307                 -3.037                 -2.251
 CID2   Fr= 1--       6.816                 -0.223                 -1.310
 Raman3 Fr= 1--      28.554                 27.236                  3.436
 ROA3   Fr= 1--     461.860                -16.463                -19.990
 CID3   Fr= 1--      16.175                 -0.604                 -5.818
 RC180  Fr= 1--       0.708                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.02     0.03   0.00  -0.01
     3   7    -0.00   0.00   0.00     0.05  -0.00  -0.03    -0.04  -0.00   0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.05   0.03  -0.01    -0.03  -0.02   0.01    -0.04  -0.02   0.00
     6   6    -0.03  -0.02   0.01     0.01   0.02  -0.01     0.02   0.02   0.00
     7   6     0.01   0.04   0.01    -0.00  -0.03   0.00    -0.00  -0.03  -0.00
     8   7    -0.00  -0.05  -0.01    -0.00   0.04   0.00    -0.00   0.04   0.00
     9   7    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.04  -0.00   0.02
    10   7     0.05  -0.03   0.01     0.03  -0.02   0.01     0.04  -0.02   0.00
    11   6    -0.03   0.02  -0.01    -0.01   0.02  -0.01    -0.02   0.02   0.00
    12   6     0.01  -0.04  -0.01     0.00  -0.03   0.00     0.00  -0.03  -0.00
    13   7    -0.00   0.05   0.01     0.00   0.04   0.00     0.00   0.04   0.00
    14   1    -0.00   0.03   0.00    -0.02  -0.03  -0.01     0.01   0.05   0.04
    15   1    -0.08   0.08   0.08     0.07  -0.02  -0.01     0.08  -0.10  -0.08
    16   1    -0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.03  -0.02   0.04
    17   1    -0.09   0.06   0.04     0.07  -0.01  -0.06     0.09  -0.03  -0.06
    18   1    -0.03   0.02  -0.01    -0.03  -0.00  -0.01     0.03  -0.02   0.04
    19   1    -0.09  -0.06  -0.04    -0.07  -0.01  -0.06    -0.10  -0.03  -0.06
    20   1    -0.00  -0.03  -0.00     0.02  -0.03  -0.01    -0.01   0.05   0.04
    21   1    -0.07  -0.08  -0.08    -0.08  -0.02  -0.01    -0.08  -0.10  -0.08
    22   1    -0.26   0.36   0.01    -0.15   0.22  -0.02    -0.19   0.27   0.02
    23   1    -0.17   0.08  -0.06    -0.11   0.06  -0.02    -0.15   0.08  -0.06
    24   1     0.18  -0.38  -0.00     0.13  -0.28   0.03     0.12  -0.26   0.02
    25   1    -0.02  -0.18  -0.04    -0.02  -0.11  -0.04    -0.01  -0.16  -0.05
    26   1     0.02  -0.00   0.02     0.18  -0.01   0.14    -0.14   0.00  -0.10
    27   1     0.02  -0.01   0.00     0.45   0.04   0.03    -0.39  -0.02  -0.04
    28   1     0.18   0.39   0.00    -0.12  -0.27   0.03    -0.12  -0.26   0.02
    29   1    -0.02   0.18   0.04     0.02  -0.10  -0.04     0.01  -0.16  -0.05
    30   1    -0.26  -0.37  -0.01     0.14   0.21  -0.02     0.19   0.26   0.02
    31   1    -0.18  -0.08   0.06     0.11   0.06  -0.02     0.15   0.08  -0.05
    32   1     0.01   0.00  -0.01    -0.01   0.01   0.01     0.03  -0.00  -0.02
    33   1    -0.01   0.00   0.02    -0.02  -0.02   0.14     0.01   0.02  -0.10
    34   1    -0.01  -0.00  -0.03     0.02  -0.02   0.14    -0.01   0.02  -0.10
    35   1     0.01  -0.00   0.01     0.01   0.01   0.01    -0.03  -0.00  -0.02
    36   1     0.02   0.01  -0.00    -0.45   0.04   0.03     0.39  -0.01  -0.04
    37   1     0.03   0.00  -0.02    -0.18  -0.01   0.14     0.14   0.00  -0.10
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2763              1292.8694              1298.2383
 Red. masses --      1.3918                 1.3945                 1.3675
 Frc consts  --      1.3694                 1.3734                 1.3580
 IR Inten    --      1.0600                 0.2030                 0.5098
 RamAct Fr= 1--      0.2581                 5.4466                 3.8556
  Dep-P Fr= 1--      0.7453                 0.1050                 0.5230
  Dep-U Fr= 1--      0.8541                 0.1900                 0.6868
 Alpha2 Fr= 1--      0.0000                 0.0942                 0.0170
 Beta2  Fr= 1--      0.0367                 0.1724                 0.4414
 AlphaG Fr= 1--      0.0000                 0.0335                -0.0457
 Gamma2 Fr= 1--     -0.2485                 0.2507                -1.7362
 Delta2 Fr= 1--     -0.4426                -0.7780                 0.5718
 Raman1 Fr= 1--       1.032                 21.786                 15.422
 ROA1   Fr= 1--     -38.018                 -0.823               -148.381
 CID1   Fr= 1--     -36.830                 -0.038                 -9.621
 Raman2 Fr= 1--       0.441                  2.069                  5.296
 ROA2   Fr= 1--      -2.423                 12.242                -46.245
 CID2   Fr= 1--      -5.498                  5.916                 -8.732
 Raman3 Fr= 1--       0.882                  4.139                 10.592
 ROA3   Fr= 1--     -38.018                 -0.823               -148.381
 CID3   Fr= 1--     -43.122                 -0.199                -14.008
 RC180  Fr= 1--       0.708                 -0.620                  0.374
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.10  -0.04    -0.01   0.05   0.01
     2   6     0.00   0.00  -0.00     0.01   0.10   0.04    -0.01  -0.05  -0.01
     3   7    -0.01  -0.00   0.00    -0.02  -0.03  -0.02     0.02   0.02   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.02   0.02    -0.01   0.01  -0.01    -0.01   0.02  -0.01
     6   6    -0.05   0.03  -0.06     0.03  -0.02   0.03     0.04  -0.03   0.05
     7   6     0.05  -0.02   0.06    -0.03   0.01  -0.03    -0.05   0.03  -0.05
     8   7    -0.03  -0.01  -0.02     0.01   0.00   0.01     0.02  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.02   0.03   0.02     0.02  -0.02  -0.01
    10   7    -0.02  -0.02   0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    11   6     0.05   0.03  -0.06     0.02   0.02  -0.03     0.04   0.03  -0.05
    12   6    -0.05  -0.02   0.06    -0.03  -0.01   0.03    -0.05  -0.03   0.05
    13   7     0.03  -0.01  -0.02     0.01  -0.00  -0.01     0.02   0.00  -0.01
    14   1    -0.23   0.09   0.14     0.10  -0.04  -0.06     0.20  -0.12  -0.14
    15   1     0.08   0.01   0.02    -0.05   0.01  -0.00    -0.09   0.04   0.02
    16   1     0.18  -0.15  -0.13    -0.08   0.09   0.06    -0.19   0.12   0.13
    17   1    -0.04   0.09  -0.02     0.02  -0.03  -0.01     0.06  -0.06  -0.00
    18   1    -0.18  -0.16  -0.13    -0.08  -0.08  -0.06    -0.19  -0.12  -0.13
    19   1     0.04   0.09  -0.02     0.02   0.02   0.01     0.06   0.06   0.00
    20   1     0.23   0.09   0.14     0.10   0.04   0.05     0.20   0.12   0.15
    21   1    -0.08   0.01   0.02    -0.04  -0.01   0.00    -0.09  -0.04  -0.02
    22   1     0.13  -0.16  -0.10     0.05  -0.06  -0.05     0.09  -0.11  -0.09
    23   1    -0.15   0.28   0.07    -0.07   0.13   0.03    -0.13   0.24   0.05
    24   1     0.05  -0.14   0.11     0.02  -0.06   0.05     0.06  -0.16   0.10
    25   1    -0.17   0.30  -0.07    -0.07   0.13  -0.03    -0.14   0.23  -0.06
    26   1    -0.02   0.00  -0.02     0.39   0.08  -0.04    -0.23  -0.05   0.02
    27   1    -0.05  -0.00  -0.01    -0.23  -0.14   0.01     0.13   0.08  -0.01
    28   1    -0.05  -0.14   0.11     0.02   0.07  -0.06     0.06   0.16  -0.10
    29   1     0.17   0.29  -0.07    -0.08  -0.14   0.04    -0.14  -0.22   0.06
    30   1    -0.12  -0.16  -0.10     0.05   0.07   0.05     0.09   0.11   0.09
    31   1     0.15   0.28   0.07    -0.07  -0.14  -0.03    -0.13  -0.24  -0.05
    32   1     0.00  -0.00  -0.00    -0.03   0.06  -0.36     0.05  -0.01   0.13
    33   1     0.01   0.01  -0.01     0.04   0.04   0.11    -0.08  -0.06   0.02
    34   1    -0.00   0.01  -0.01     0.04  -0.04  -0.11    -0.08   0.06  -0.02
    35   1    -0.00  -0.00   0.01    -0.03  -0.06   0.36     0.05   0.01  -0.13
    36   1     0.05   0.00  -0.01    -0.23   0.14  -0.02     0.13  -0.08   0.01
    37   1     0.03  -0.00  -0.01     0.39  -0.08   0.05    -0.23   0.05  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.0734              1332.4054              1341.4749
 Red. masses --      1.1833                 1.1875                 1.1773
 Frc consts  --      1.2352                 1.2421                 1.2482
 IR Inten    --     26.0411                24.1301                 0.1840
 RamAct Fr= 1--      1.1341                 4.2285                 4.0501
  Dep-P Fr= 1--      0.7500                 0.7156                 0.1328
  Dep-U Fr= 1--      0.8571                 0.8342                 0.2345
 Alpha2 Fr= 1--      0.0000                 0.0025                 0.0654
 Beta2  Fr= 1--      0.1620                 0.5879                 0.1583
 AlphaG Fr= 1--      0.0000                 0.0175                -0.0278
 Gamma2 Fr= 1--      4.4842                -0.2294                -1.1453
 Delta2 Fr= 1--      2.3497                -1.2748                -0.1534
 Raman1 Fr= 1--       4.536                 16.914                 16.200
 ROA1   Fr= 1--     505.674                -62.818               -114.858
 CID1   Fr= 1--     111.469                 -3.714                 -7.090
 Raman2 Fr= 1--       1.944                  7.055                  1.900
 ROA2   Fr= 1--      88.824                  4.692                -26.259
 CID2   Fr= 1--      45.687                  0.665                -13.823
 Raman3 Fr= 1--       3.888                 14.110                  3.799
 ROA3   Fr= 1--     505.674                -62.818               -114.858
 CID3   Fr= 1--     130.048                 -4.452                -30.230
 RC180  Fr= 1--       0.714                  0.668                 -0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.05    -0.01  -0.00  -0.02
     2   6     0.00   0.00   0.00     0.01   0.01  -0.05    -0.01   0.00   0.02
     3   7    -0.00  -0.00   0.00    -0.05  -0.03   0.02     0.02   0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.02  -0.03   0.03    -0.01  -0.02   0.02    -0.02  -0.03   0.03
     6   6     0.03  -0.01  -0.02     0.02  -0.01  -0.01     0.02  -0.00  -0.02
     7   6    -0.02   0.02   0.02    -0.02   0.01   0.00    -0.01   0.02   0.02
     8   7    -0.02  -0.04  -0.03    -0.00  -0.02  -0.01    -0.02  -0.03  -0.02
     9   7     0.01  -0.00   0.00    -0.05   0.03  -0.02     0.02  -0.01   0.01
    10   7     0.02  -0.03   0.03    -0.01   0.01  -0.02    -0.02   0.03  -0.03
    11   6    -0.03  -0.01  -0.02     0.02   0.01   0.01     0.02   0.00   0.02
    12   6     0.02   0.02   0.02    -0.02  -0.01  -0.00    -0.01  -0.02  -0.02
    13   7     0.02  -0.04  -0.03    -0.00   0.01   0.01    -0.02   0.03   0.02
    14   1     0.08  -0.20  -0.16     0.04  -0.12  -0.09     0.03  -0.17  -0.12
    15   1    -0.00   0.24   0.20    -0.02   0.15   0.12     0.00   0.21   0.17
    16   1    -0.22  -0.05   0.17    -0.10   0.01   0.08    -0.16  -0.06   0.13
    17   1     0.24   0.13  -0.23     0.08   0.05  -0.10     0.19   0.11  -0.18
    18   1     0.22  -0.04   0.17    -0.09  -0.02  -0.08    -0.16   0.06  -0.13
    19   1    -0.24   0.12  -0.23     0.08  -0.05   0.09     0.19  -0.11   0.18
    20   1    -0.08  -0.20  -0.16     0.04   0.12   0.09     0.03   0.17   0.12
    21   1     0.00   0.24   0.21    -0.02  -0.14  -0.11     0.00  -0.21  -0.17
    22   1    -0.06   0.10  -0.03     0.03  -0.06   0.03     0.06  -0.10   0.05
    23   1    -0.13   0.13   0.01     0.07  -0.06  -0.00     0.17  -0.17  -0.01
    24   1    -0.07   0.12   0.04     0.03  -0.07   0.00     0.05  -0.09  -0.04
    25   1    -0.04   0.20  -0.02    -0.01  -0.05  -0.01     0.07  -0.23   0.02
    26   1    -0.03  -0.00  -0.01     0.25   0.05   0.07    -0.13  -0.02  -0.04
    27   1    -0.02   0.01  -0.00     0.15  -0.04   0.02    -0.12   0.02  -0.02
    28   1     0.06   0.12   0.04     0.03   0.07   0.00     0.05   0.09   0.04
    29   1     0.04   0.20  -0.02    -0.01   0.06   0.01     0.07   0.23  -0.02
    30   1     0.06   0.10  -0.03     0.04   0.06  -0.03     0.06   0.10  -0.05
    31   1     0.13   0.12   0.01     0.07   0.06   0.00     0.17   0.16   0.01
    32   1     0.01   0.01  -0.02    -0.18  -0.11   0.26     0.11   0.07  -0.16
    33   1    -0.02  -0.02   0.01     0.27   0.20  -0.25    -0.12  -0.08   0.11
    34   1     0.02  -0.01   0.01     0.27  -0.20   0.25    -0.12   0.08  -0.11
    35   1    -0.01   0.01  -0.01    -0.18   0.11  -0.26     0.11  -0.07   0.16
    36   1     0.02   0.01  -0.00     0.15   0.04  -0.02    -0.12  -0.02   0.02
    37   1     0.02  -0.00  -0.01     0.25  -0.04  -0.07    -0.13   0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.7371              1348.0922              1351.6983
 Red. masses --      1.1923                 1.1884                 1.1988
 Frc consts  --      1.2760                 1.2725                 1.2905
 IR Inten    --      3.5102                12.8988                 6.4387
 RamAct Fr= 1--      8.7777                14.9424                 5.3781
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.2540                 2.1338                 0.7683
 AlphaG Fr= 1--      0.0000                -0.0004                -0.0000
 Gamma2 Fr= 1--      8.7136               -10.7826                -2.5148
 Delta2 Fr= 1--      1.6437                -0.8275                 0.1679
 Raman1 Fr= 1--      35.111                 59.770                 21.512
 ROA1   Fr= 1--     889.105              -1061.607               -236.051
 CID1   Fr= 1--      25.323                -17.762                -10.973
 Raman2 Fr= 1--      15.047                 25.606                  9.219
 ROA2   Fr= 1--     195.978               -252.162                -61.698
 CID2   Fr= 1--      13.024                 -9.848                 -6.692
 Raman3 Fr= 1--      30.095                 51.212                 18.439
 ROA3   Fr= 1--     889.105              -1061.607               -236.051
 CID3   Fr= 1--      29.543                -20.730                -12.802
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     2   6    -0.02   0.06  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.00
     3   7    -0.04  -0.05  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.03   0.03    -0.01  -0.03   0.03
     6   6    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04    -0.01  -0.02  -0.04
     7   6     0.00   0.00  -0.01     0.00   0.02  -0.04     0.01   0.02  -0.04
     8   7     0.00   0.01   0.01     0.02   0.01   0.03     0.02   0.02   0.03
     9   7     0.04  -0.05  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    10   7    -0.00  -0.00   0.00     0.00   0.03  -0.03     0.01  -0.03   0.03
    11   6     0.00  -0.00  -0.00    -0.02   0.01   0.04     0.01  -0.02  -0.04
    12   6    -0.00   0.00  -0.01     0.00  -0.02   0.04    -0.01   0.02  -0.04
    13   7    -0.00   0.01   0.01     0.02  -0.01  -0.03    -0.02   0.02   0.03
    14   1    -0.01  -0.02  -0.01    -0.05  -0.15  -0.09    -0.05  -0.14  -0.08
    15   1    -0.01   0.04   0.03    -0.06   0.27   0.21    -0.06   0.30   0.23
    16   1     0.02   0.00  -0.02     0.12   0.12  -0.11     0.07   0.10  -0.07
    17   1    -0.05  -0.03   0.07    -0.27  -0.09   0.22    -0.26  -0.07   0.21
    18   1    -0.02   0.00  -0.02     0.12  -0.12   0.11    -0.08   0.11  -0.07
    19   1     0.05  -0.03   0.06    -0.27   0.09  -0.23     0.26  -0.08   0.21
    20   1     0.01  -0.02  -0.01    -0.05   0.15   0.09     0.05  -0.14  -0.08
    21   1     0.01   0.03   0.02    -0.06  -0.27  -0.21     0.06   0.30   0.23
    22   1     0.01  -0.01  -0.01    -0.04   0.04   0.08     0.01   0.00  -0.08
    23   1    -0.01   0.02   0.01     0.15  -0.22  -0.05    -0.18   0.23   0.04
    24   1     0.00   0.00  -0.01     0.00  -0.03   0.08     0.00   0.02  -0.08
    25   1     0.01  -0.04   0.00    -0.11   0.24  -0.05     0.10  -0.24   0.05
    26   1    -0.37  -0.08  -0.01    -0.02  -0.00  -0.01     0.05   0.01  -0.01
    27   1     0.05   0.11  -0.02    -0.03   0.00  -0.00    -0.06  -0.02  -0.00
    28   1    -0.00   0.00  -0.02     0.00   0.03  -0.08    -0.00   0.02  -0.07
    29   1    -0.01  -0.05   0.01    -0.10  -0.24   0.05    -0.09  -0.23   0.04
    30   1    -0.01  -0.01  -0.01    -0.04  -0.04  -0.08    -0.01   0.00  -0.08
    31   1     0.02   0.03   0.01     0.15   0.22   0.05     0.18   0.23   0.04
    32   1     0.23   0.11  -0.09     0.02   0.01  -0.03    -0.04  -0.02   0.01
    33   1    -0.29  -0.19   0.35    -0.01  -0.01   0.01     0.05   0.03  -0.07
    34   1     0.29  -0.19   0.36    -0.02   0.01  -0.02    -0.05   0.03  -0.07
    35   1    -0.23   0.10  -0.09     0.02  -0.02   0.03     0.04  -0.02   0.01
    36   1    -0.05   0.11  -0.02    -0.02  -0.01   0.00     0.06  -0.02  -0.00
    37   1     0.37  -0.08  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.4549              1405.0486              1407.6406
 Red. masses --      1.2682                 1.2707                 1.2598
 Frc consts  --      1.4739                 1.4780                 1.4707
 IR Inten    --      0.8605                 0.1242                 2.3214
 RamAct Fr= 1--      1.8331                 3.0180                 1.1203
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2619                 0.4311                 0.1600
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0000
 Gamma2 Fr= 1--     -2.1841                 3.0434                 1.0490
 Delta2 Fr= 1--     -0.8674                 1.5020                 0.6303
 Raman1 Fr= 1--       7.332                 12.072                  4.481
 ROA1   Fr= 1--    -237.431                340.225                120.873
 CID1   Fr= 1--     -32.381                 28.183                 26.973
 Raman2 Fr= 1--       3.142                  5.173                  1.921
 ROA2   Fr= 1--     -45.479                 61.024                 20.133
 CID2   Fr= 1--     -14.473                 11.796                 10.483
 Raman3 Fr= 1--       6.285                 10.347                  3.841
 ROA3   Fr= 1--    -237.431                340.225                120.873
 CID3   Fr= 1--     -37.778                 32.883                 31.469
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.08     0.00   0.00  -0.00    -0.01  -0.00   0.02
     2   6    -0.06   0.00  -0.08     0.00  -0.00   0.00     0.01  -0.00   0.02
     3   7    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.02   0.00  -0.01    -0.02   0.01  -0.01
     6   6     0.01  -0.02  -0.01     0.03  -0.06  -0.02     0.03  -0.06  -0.02
     7   6     0.01   0.00  -0.00     0.07   0.01  -0.02     0.07   0.01  -0.02
     8   7    -0.00   0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
     9   7     0.01   0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   7     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.02   0.01  -0.01
    11   6    -0.01  -0.02  -0.01     0.03   0.06   0.02    -0.02  -0.06  -0.02
    12   6    -0.01   0.00  -0.00     0.07  -0.01   0.02    -0.07   0.01  -0.02
    13   7     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.01
    14   1    -0.01   0.08   0.06    -0.04   0.29   0.22    -0.03   0.29   0.22
    15   1    -0.02   0.05   0.04    -0.10   0.21   0.15    -0.09   0.18   0.14
    16   1    -0.05  -0.01   0.05    -0.27  -0.11   0.23    -0.26  -0.12   0.23
    17   1    -0.05   0.01   0.02    -0.23  -0.01   0.16    -0.21  -0.01   0.14
    18   1     0.05  -0.01   0.05    -0.27   0.11  -0.23     0.26  -0.11   0.23
    19   1     0.05   0.01   0.02    -0.23   0.01  -0.16     0.20  -0.01   0.14
    20   1     0.01   0.09   0.06    -0.04  -0.29  -0.22     0.03   0.29   0.22
    21   1     0.02   0.05   0.04    -0.10  -0.21  -0.16     0.09   0.18   0.14
    22   1    -0.02   0.03   0.01     0.07  -0.10  -0.04    -0.06   0.08   0.06
    23   1     0.02  -0.04  -0.01    -0.05   0.11   0.04     0.07  -0.13  -0.04
    24   1     0.01  -0.02   0.01    -0.05   0.10  -0.05     0.04  -0.09   0.06
    25   1    -0.01   0.03  -0.01     0.07  -0.09   0.04    -0.08   0.13  -0.04
    26   1     0.17   0.05  -0.04     0.00   0.00   0.00    -0.03  -0.01   0.01
    27   1    -0.15  -0.07   0.01     0.00  -0.00   0.00     0.07   0.02   0.00
    28   1    -0.01  -0.02   0.01    -0.05  -0.10   0.05    -0.04  -0.09   0.06
    29   1     0.01   0.03  -0.01     0.07   0.09  -0.04     0.08   0.13  -0.04
    30   1     0.02   0.03   0.01     0.07   0.10   0.04     0.06   0.08   0.06
    31   1    -0.01  -0.04  -0.01    -0.05  -0.11  -0.04    -0.07  -0.13  -0.04
    32   1    -0.32  -0.21   0.33    -0.01  -0.00   0.01     0.08   0.05  -0.07
    33   1    -0.18  -0.12   0.32    -0.00  -0.01   0.00     0.04   0.03  -0.07
    34   1     0.18  -0.12   0.32    -0.00   0.00   0.00    -0.04   0.03  -0.07
    35   1     0.32  -0.21   0.33    -0.01   0.00  -0.01    -0.08   0.05  -0.07
    36   1     0.15  -0.06   0.01     0.00   0.00  -0.00    -0.07   0.02   0.00
    37   1    -0.17   0.05  -0.04     0.00  -0.00  -0.00     0.03  -0.01   0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.6752              1443.8012              1445.7408
 Red. masses --      1.4425                 1.4527                 1.4508
 Frc consts  --      1.7689                 1.7842                 1.7866
 IR Inten    --      3.1811                 2.6232                 0.9977
 RamAct Fr= 1--      0.4126                 0.7910                 0.7050
  Dep-P Fr= 1--      0.7500                 0.7476                 0.7434
  Dep-U Fr= 1--      0.8571                 0.8556                 0.8528
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0589                 0.1128                 0.1002
 AlphaG Fr= 1--     -0.0000                -0.0036                 0.0052
 Gamma2 Fr= 1--     -1.9395                 1.1879                -0.6219
 Delta2 Fr= 1--     -1.2858                 0.9303                -0.6791
 Raman1 Fr= 1--       1.650                  3.164                  2.820
 ROA1   Fr= 1--    -227.341                143.805                -81.431
 CID1   Fr= 1--    -137.755                 45.451                -28.877
 Raman2 Fr= 1--       0.707                  1.353                  1.202
 ROA2   Fr= 1--     -36.262                 21.067                 -9.492
 CID2   Fr= 1--     -51.269                 15.565                 -7.894
 Raman3 Fr= 1--       1.415                  2.707                  2.405
 ROA3   Fr= 1--    -227.341                143.805                -81.431
 CID3   Fr= 1--    -160.714                 53.124                -33.860
 RC180  Fr= 1--       0.714                  0.711                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.03   0.03  -0.13    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.03  -0.03   0.13    -0.00  -0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.00
     6   6     0.05  -0.06  -0.05    -0.00   0.00  -0.00     0.06  -0.06  -0.05
     7   6    -0.08   0.02   0.05     0.00  -0.00   0.00    -0.08   0.02   0.05
     8   7     0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.00
     9   7     0.00  -0.00  -0.00     0.01   0.01   0.04     0.00  -0.00  -0.00
    10   7     0.03   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.00
    11   6    -0.05  -0.06  -0.05    -0.00  -0.00   0.00     0.06   0.06   0.05
    12   6     0.08   0.02   0.05    -0.00   0.00  -0.00    -0.08  -0.02  -0.05
    13   7    -0.02  -0.02   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    14   1    -0.09   0.29   0.27     0.00  -0.02  -0.01    -0.11   0.27   0.28
    15   1    -0.05   0.17   0.09     0.00   0.00   0.00    -0.08   0.17   0.07
    16   1     0.29   0.04  -0.28    -0.00   0.02   0.01     0.29   0.04  -0.29
    17   1     0.18   0.02  -0.08    -0.01   0.02  -0.02     0.19   0.02  -0.08
    18   1    -0.29   0.04  -0.29     0.00  -0.02  -0.01     0.29  -0.04   0.28
    19   1    -0.18   0.02  -0.08    -0.01  -0.02   0.02     0.19  -0.02   0.08
    20   1     0.09   0.29   0.27    -0.00   0.01   0.01    -0.11  -0.26  -0.28
    21   1     0.05   0.17   0.09     0.00  -0.01  -0.00    -0.08  -0.17  -0.07
    22   1    -0.07   0.13   0.02     0.00  -0.00   0.01     0.08  -0.13  -0.03
    23   1    -0.00  -0.11  -0.06     0.02  -0.02  -0.00    -0.01   0.09   0.05
    24   1    -0.07   0.13  -0.02     0.01  -0.02  -0.01     0.07  -0.13   0.03
    25   1     0.08  -0.05   0.06    -0.01  -0.01  -0.01    -0.08   0.05  -0.05
    26   1    -0.02  -0.00   0.00     0.11   0.05  -0.09    -0.02  -0.00   0.00
    27   1     0.01  -0.00   0.00    -0.22  -0.03   0.00     0.00  -0.00  -0.00
    28   1     0.07   0.12  -0.02     0.01   0.02   0.01     0.07   0.13  -0.03
    29   1    -0.08  -0.05   0.06    -0.00   0.01   0.01    -0.08  -0.05   0.05
    30   1     0.07   0.12   0.01    -0.00  -0.00  -0.01     0.08   0.13   0.03
    31   1     0.00  -0.11  -0.06     0.02   0.02   0.00    -0.01  -0.09  -0.05
    32   1     0.00   0.01  -0.02    -0.27  -0.25   0.43     0.02  -0.01   0.02
    33   1    -0.00  -0.01  -0.02    -0.17  -0.05   0.23    -0.00   0.01   0.02
    34   1     0.00  -0.01  -0.02    -0.16   0.04  -0.23    -0.00  -0.01  -0.02
    35   1    -0.01   0.02  -0.03    -0.27   0.25  -0.43     0.02   0.01  -0.02
    36   1    -0.01   0.00   0.00    -0.22   0.03  -0.00     0.00   0.00   0.00
    37   1     0.02  -0.00   0.00     0.11  -0.05   0.09    -0.02   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8309              1502.9443              1503.6487
 Red. masses --      1.0811                 1.0804                 1.0791
 Frc consts  --      1.4385                 1.4379                 1.4374
 IR Inten    --     27.1698                27.3436                22.4296
 RamAct Fr= 1--      5.8776                 7.3076                 2.9695
  Dep-P Fr= 1--      0.4209                 0.5955                 0.7480
  Dep-U Fr= 1--      0.5924                 0.7465                 0.8558
 Alpha2 Fr= 1--      0.0403                 0.0210                 0.0001
 Beta2  Fr= 1--      0.5804                 0.9091                 0.4236
 AlphaG Fr= 1--      0.0473                 0.0229                 0.0007
 Gamma2 Fr= 1--     -1.9798                -1.9022                -1.1730
 Delta2 Fr= 1--     -0.8467                -0.5085                -1.0500
 Raman1 Fr= 1--      23.511                 29.231                 11.878
 ROA1   Fr= 1--    -217.158               -198.879               -146.205
 CID1   Fr= 1--      -9.237                 -6.804                -12.309
 Raman2 Fr= 1--       6.964                 10.910                  5.083
 ROA2   Fr= 1--     -40.742                -41.584                -19.751
 CID2   Fr= 1--      -5.850                 -3.812                 -3.886
 Raman3 Fr= 1--      13.929                 21.819                 10.166
 ROA3   Fr= 1--    -217.158               -198.879               -146.205
 CID3   Fr= 1--     -15.591                 -9.115                -14.382
 RC180  Fr= 1--       0.185                  0.493                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.04     0.01   0.01   0.02    -0.01  -0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.05   0.03   0.05    -0.00   0.00   0.00
     3   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.01   0.03  -0.00    -0.00   0.02  -0.00     0.02  -0.05   0.01
     8   7     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     9   7    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.00  -0.00
    12   6    -0.00  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.05   0.01
    13   7     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    14   1     0.08   0.05  -0.06     0.07   0.04  -0.05    -0.11  -0.05   0.09
    15   1     0.10  -0.01   0.07     0.08  -0.02   0.05    -0.12   0.02  -0.08
    16   1    -0.05  -0.23  -0.10    -0.05  -0.17  -0.06     0.11   0.45   0.19
    17   1     0.13  -0.16   0.15     0.09  -0.12   0.11    -0.26   0.32  -0.29
    18   1    -0.05   0.18   0.07    -0.04   0.17   0.08    -0.10   0.39   0.16
    19   1     0.10   0.13  -0.12     0.10   0.12  -0.11     0.23   0.28  -0.26
    20   1     0.08  -0.05   0.06     0.07  -0.05   0.05     0.11  -0.06   0.09
    21   1     0.09   0.02  -0.06     0.08   0.01  -0.06     0.12   0.02  -0.08
    22   1    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.02   0.01   0.03
    23   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.04  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    25   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.02   0.00  -0.01     0.00   0.00  -0.01    -0.03  -0.00  -0.01
    27   1     0.01   0.01  -0.00     0.01   0.03  -0.00     0.00   0.02  -0.00
    28   1    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    30   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.03
    31   1     0.01   0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    32   1     0.52  -0.17   0.23    -0.13   0.07  -0.11     0.07  -0.01   0.01
    33   1     0.17   0.49   0.32    -0.06  -0.15  -0.10     0.02   0.05   0.03
    34   1    -0.01  -0.00  -0.00     0.18  -0.49  -0.32     0.01  -0.03  -0.02
    35   1     0.03  -0.02   0.04     0.52   0.18  -0.24     0.02   0.01  -0.02
    36   1     0.02  -0.03   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    37   1     0.00   0.00   0.02     0.02  -0.00   0.01     0.03  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.9733              1504.7246              1505.2980
 Red. masses --      1.0797                 1.0786                 1.0844
 Frc consts  --      1.4389                 1.4389                 1.4477
 IR Inten    --      6.6527                11.7075                 1.3624
 RamAct Fr= 1--     14.1256                11.2866                 1.7650
  Dep-P Fr= 1--      0.6919                 0.3244                 0.7473
  Dep-U Fr= 1--      0.8179                 0.4899                 0.8554
 Alpha2 Fr= 1--      0.0144                 0.1075                 0.0001
 Beta2  Fr= 1--      1.9256                 0.9216                 0.2516
 AlphaG Fr= 1--      0.0434                -0.1449                -0.0001
 Gamma2 Fr= 1--      3.9833                -1.9247                 3.3373
 Delta2 Fr= 1--      0.2258                -0.1251                 1.2545
 Raman1 Fr= 1--      56.503                 45.147                  7.060
 ROA1   Fr= 1--     389.624               -188.771                360.529
 CID1   Fr= 1--       6.896                 -4.181                 51.065
 Raman2 Fr= 1--      23.107                 11.059                  3.020
 ROA2   Fr= 1--      93.792                -45.191                 70.060
 CID2   Fr= 1--       4.059                 -4.086                 23.201
 Raman3 Fr= 1--      46.214                 22.118                  6.039
 ROA3   Fr= 1--     389.624               -188.771                360.529
 CID3   Fr= 1--       8.431                 -8.535                 59.697
 RC180  Fr= 1--       0.636                 -0.020                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.03   0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
     6   6     0.02   0.00   0.00    -0.04  -0.02  -0.01    -0.06  -0.01  -0.01
     7   6     0.01  -0.03   0.00    -0.00  -0.02   0.01     0.00  -0.02   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.00    -0.04   0.02   0.01     0.05  -0.01  -0.01
    12   6     0.02   0.04  -0.00     0.00   0.03  -0.01    -0.00  -0.02   0.00
    13   7    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.12  -0.09   0.08     0.27   0.29  -0.15     0.32   0.32  -0.19
    15   1    -0.14   0.01  -0.10     0.34  -0.05   0.24     0.40  -0.07   0.28
    16   1     0.05   0.24   0.11     0.09   0.20   0.05     0.07   0.13   0.02
    17   1    -0.15   0.17  -0.15    -0.11   0.13  -0.13    -0.08   0.08  -0.08
    18   1     0.07  -0.32  -0.15     0.10  -0.24  -0.06    -0.07   0.14   0.03
    19   1    -0.19  -0.23   0.21    -0.13  -0.16   0.15     0.08   0.09  -0.08
    20   1    -0.15   0.12  -0.11     0.28  -0.31   0.15    -0.29   0.30  -0.18
    21   1    -0.18  -0.02   0.13     0.36   0.05  -0.25    -0.37  -0.06   0.26
    22   1    -0.00   0.01  -0.01     0.03  -0.03  -0.04     0.01  -0.01   0.01
    23   1    -0.01   0.00  -0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    24   1    -0.00   0.02  -0.01     0.00  -0.02   0.03     0.00   0.02  -0.03
    25   1     0.00  -0.00  -0.00     0.01   0.02   0.01    -0.02  -0.01  -0.01
    26   1    -0.02  -0.00  -0.03    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    27   1     0.02   0.04  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    28   1    -0.00  -0.02   0.01     0.00   0.02  -0.03    -0.00   0.02  -0.04
    29   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.01
    30   1    -0.00  -0.01   0.01     0.03   0.03   0.03    -0.01  -0.01   0.01
    31   1    -0.00  -0.00   0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    32   1     0.29  -0.06   0.08     0.03  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.08   0.24   0.16     0.01   0.02   0.01     0.00  -0.00  -0.00
    34   1     0.10  -0.28  -0.18     0.01  -0.02  -0.01    -0.00   0.00   0.00
    35   1     0.33   0.08  -0.10     0.03   0.00  -0.00    -0.01   0.00  -0.00
    36   1     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    37   1    -0.02   0.00   0.03    -0.02   0.00   0.01     0.01  -0.00  -0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1641.1493              1654.4291              1656.5217
 Red. masses --      1.0766                 1.0781                 1.0815
 Frc consts  --      1.7084                 1.7386                 1.7485
 IR Inten    --    167.4825                 9.3212                16.6771
 RamAct Fr= 1--      0.0101                 6.0938                 5.1523
  Dep-P Fr= 1--      0.7493                 0.7421                 0.7500
  Dep-U Fr= 1--      0.8567                 0.8520                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0008                 0.0000
 Beta2  Fr= 1--      0.0014                 0.8653                 0.7360
 AlphaG Fr= 1--      0.0000                -0.0066                -0.0000
 Gamma2 Fr= 1--     -0.0621                 0.9051                 2.9599
 Delta2 Fr= 1--     -0.0509                 3.0505                 3.5456
 Raman1 Fr= 1--       0.040                 24.375                 20.609
 ROA1   Fr= 1--      -7.588                184.503                397.605
 CID1   Fr= 1--    -187.875                  7.569                 19.292
 Raman2 Fr= 1--       0.017                 10.383                  8.833
 ROA2   Fr= 1--      -1.083                 -2.682                 42.672
 CID2   Fr= 1--     -62.599                 -0.258                  4.831
 Raman3 Fr= 1--       0.035                 20.767                 17.665
 ROA3   Fr= 1--      -7.588                184.503                397.605
 CID3   Fr= 1--    -219.306                  8.884                 22.508
 RC180  Fr= 1--       0.713                  0.704                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.01  -0.01   0.01
     4  45     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.01   0.02    -0.00   0.01   0.02     0.00  -0.02  -0.04
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     8   7    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     9   7    -0.01  -0.02   0.02    -0.01  -0.03   0.02    -0.01  -0.01   0.01
    10   7     0.00   0.01   0.02    -0.00  -0.01  -0.02    -0.00  -0.02  -0.04
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    13   7     0.01  -0.00   0.02    -0.01   0.00  -0.02     0.01  -0.00   0.02
    14   1    -0.01  -0.01   0.01     0.00   0.01   0.01    -0.01  -0.00   0.01
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00    -0.01   0.03   0.00
    16   1    -0.01  -0.01   0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    17   1     0.01   0.01  -0.01     0.01   0.01  -0.00     0.03  -0.01   0.01
    18   1     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02  -0.02
    19   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.01   0.01
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01     0.01  -0.00   0.01
    21   1     0.02  -0.01  -0.01    -0.00   0.01   0.00     0.01   0.03   0.00
    22   1     0.08   0.02  -0.24    -0.08  -0.01   0.25    -0.14  -0.01   0.39
    23   1    -0.15  -0.18  -0.13     0.14   0.17   0.13     0.24   0.27   0.20
    24   1     0.06   0.06  -0.26    -0.04  -0.06   0.20     0.04   0.05  -0.18
    25   1    -0.24  -0.05  -0.14     0.18   0.04   0.11    -0.15  -0.05  -0.09
    26   1     0.10   0.05  -0.31     0.10   0.06  -0.35     0.06   0.03  -0.16
    27   1     0.03   0.32  -0.03     0.04   0.38  -0.03     0.02   0.17  -0.01
    28   1    -0.06   0.06  -0.26    -0.04   0.06  -0.20    -0.04   0.05  -0.18
    29   1     0.24  -0.04  -0.14     0.19  -0.04  -0.11     0.15  -0.05  -0.09
    30   1    -0.08   0.02  -0.24    -0.08   0.01  -0.23     0.14  -0.01   0.41
    31   1     0.15  -0.18  -0.13     0.13  -0.16  -0.12    -0.25   0.28   0.21
    32   1    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.01  -0.00   0.00
    33   1     0.02   0.01  -0.00     0.01  -0.01  -0.03     0.01  -0.00   0.00
    34   1    -0.02   0.01  -0.00     0.01   0.01   0.03    -0.01  -0.00  -0.00
    35   1     0.01  -0.00   0.00    -0.02  -0.01   0.01     0.01  -0.00   0.00
    36   1    -0.03   0.32  -0.03     0.04  -0.37   0.03    -0.03   0.19  -0.02
    37   1    -0.10   0.05  -0.30     0.10  -0.05   0.34    -0.07   0.03  -0.18
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.8911              1668.1543              1671.0253
 Red. masses --      1.0776                 1.0775                 1.0750
 Frc consts  --      1.7493                 1.7666                 1.7685
 IR Inten    --      0.9984                 2.2504                39.5001
 RamAct Fr= 1--     12.1470                 4.3811                 1.9297
  Dep-P Fr= 1--      0.7464                 0.7461                 0.7500
  Dep-U Fr= 1--      0.8548                 0.8546                 0.8571
 Alpha2 Fr= 1--      0.0007                 0.0003                 0.0000
 Beta2  Fr= 1--      1.7305                 0.6240                 0.2757
 AlphaG Fr= 1--     -0.0088                -0.0004                -0.0000
 Gamma2 Fr= 1--    -14.9062                 5.8142                 2.8798
 Delta2 Fr= 1--     -6.1233                 1.5145                 0.4774
 Raman1 Fr= 1--      48.588                 17.524                  7.719
 ROA1   Fr= 1--   -1626.941                606.624                291.732
 CID1   Fr= 1--     -33.484                 34.616                 37.795
 Raman2 Fr= 1--      20.766                  7.488                  3.308
 ROA2   Fr= 1--    -308.762                127.423                 65.295
 CID2   Fr= 1--     -14.869                 17.017                 19.739
 Raman3 Fr= 1--      41.531                 14.976                  6.616
 ROA3   Fr= 1--   -1626.941                606.624                291.732
 CID3   Fr= 1--     -39.174                 40.507                 44.095
 RC180  Fr= 1--       0.710                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.00  -0.01   0.00    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.01  -0.02     0.00  -0.02  -0.03     0.00  -0.00  -0.00
     6   6     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     7   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     8   7    -0.02  -0.01   0.04     0.01   0.00  -0.01     0.02   0.00  -0.03
     9   7     0.00   0.01  -0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    10   7     0.00   0.01   0.02     0.00   0.02   0.03    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    13   7    -0.02   0.01  -0.04     0.01  -0.00   0.01    -0.02   0.00  -0.03
    14   1    -0.02  -0.02   0.02    -0.01  -0.02  -0.00     0.01   0.01  -0.01
    15   1    -0.03   0.02  -0.01    -0.01   0.02   0.00     0.02  -0.01   0.01
    16   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    17   1     0.03   0.00   0.00     0.01  -0.02   0.01    -0.02  -0.01   0.01
    18   1    -0.01   0.02   0.01    -0.00   0.01   0.01    -0.01   0.01  -0.00
    19   1     0.03  -0.00  -0.00     0.01   0.02  -0.01     0.02  -0.01   0.01
    20   1    -0.02   0.02  -0.02    -0.01   0.02   0.00    -0.01   0.00  -0.01
    21   1    -0.03  -0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    22   1     0.07   0.02  -0.24     0.11   0.01  -0.33     0.00  -0.01   0.02
    23   1    -0.14  -0.16  -0.12    -0.20  -0.23  -0.17     0.02   0.02   0.02
    24   1    -0.09  -0.10   0.40     0.03   0.02  -0.14    -0.08  -0.09   0.35
    25   1     0.36   0.07   0.21    -0.12  -0.03  -0.07     0.31   0.06   0.19
    26   1    -0.01  -0.01   0.08     0.09   0.05  -0.30     0.09   0.05  -0.31
    27   1    -0.01  -0.08   0.01     0.04   0.32  -0.03     0.03   0.33  -0.03
    28   1    -0.09   0.09  -0.40     0.04  -0.02   0.15     0.08  -0.09   0.35
    29   1     0.36  -0.07  -0.21    -0.13   0.03   0.08    -0.31   0.06   0.18
    30   1     0.07  -0.02   0.23     0.11  -0.01   0.34    -0.00  -0.01   0.01
    31   1    -0.14   0.16   0.12    -0.20   0.23   0.17    -0.01   0.01   0.01
    32   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.01   0.01
    33   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.02   0.01   0.00
    34   1    -0.00  -0.01  -0.01     0.01   0.02   0.03    -0.02   0.01   0.00
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.00  -0.01   0.01
    36   1    -0.01   0.07  -0.01     0.04  -0.31   0.03    -0.03   0.33  -0.03
    37   1    -0.01   0.01  -0.08     0.09  -0.05   0.29    -0.09   0.05  -0.32
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.1632              3069.2449              3071.5029
 Red. masses --      1.0634                 1.0634                 1.0631
 Frc consts  --      5.9019                 5.9023                 5.9089
 IR Inten    --      3.9519                 7.1829                 5.7899
 RamAct Fr= 1--    333.2256                96.6743               194.5661
  Dep-P Fr= 1--      0.0208                 0.0917                 0.0391
  Dep-U Fr= 1--      0.0407                 0.1679                 0.0753
 Alpha2 Fr= 1--      7.0531                 1.7274                 3.9438
 Beta2  Fr= 1--      2.2625                 2.7059                 2.4423
 AlphaG Fr= 1--     -0.7961                -0.1973                 0.1944
 Gamma2 Fr= 1--    -20.3286                12.8104                 8.0527
 Delta2 Fr= 1--    -12.2858                10.4482                 6.4801
 Raman1 Fr= 1--    1332.902                386.697                778.265
 ROA1   Fr= 1--   -2344.697               1564.144                980.418
 CID1   Fr= 1--      -1.759                  4.045                  1.260
 Raman2 Fr= 1--      27.150                 32.471                 29.308
 ROA2   Fr= 1--    -389.601                223.866                141.423
 CID2   Fr= 1--     -14.350                  6.894                  4.825
 Raman3 Fr= 1--      54.300                 64.941                 58.616
 ROA3   Fr= 1--   -2344.697               1564.144                980.418
 CID3   Fr= 1--     -43.180                 24.086                 16.726
 RC180  Fr= 1--      -0.919                 -0.664                 -0.849
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.03   0.03
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.04  -0.00   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03   0.05  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    12   6    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.00  -0.00   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.31   0.16  -0.32    -0.10   0.05  -0.10    -0.01   0.01  -0.02
    15   1    -0.12  -0.16   0.17    -0.04  -0.05   0.05    -0.01  -0.01   0.01
    16   1     0.42  -0.24   0.44     0.14  -0.08   0.15     0.00  -0.00   0.01
    17   1    -0.13  -0.30  -0.26    -0.05  -0.11  -0.09    -0.00  -0.00  -0.00
    18   1     0.14   0.08  -0.15    -0.41  -0.24   0.44     0.00   0.00  -0.00
    19   1    -0.04   0.10   0.08     0.13  -0.30  -0.26    -0.00   0.00   0.00
    20   1    -0.11  -0.06   0.11     0.31   0.16  -0.32    -0.01  -0.01   0.02
    21   1    -0.04   0.06  -0.06     0.12  -0.17   0.17    -0.01   0.01  -0.01
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    28   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.01  -0.52  -0.27
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.29   0.21  -0.11
    34   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.30  -0.22   0.11
    35   1     0.00  -0.02  -0.01     0.00   0.01   0.00    -0.01   0.53   0.27
    36   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3075.0342              3075.3234              3076.4682
 Red. masses --      1.0604                 1.0605                 1.0604
 Frc consts  --      5.9075                 5.9094                 5.9133
 IR Inten    --      0.2153                17.0196                 9.0921
 RamAct Fr= 1--     69.4221                17.7758                42.0909
  Dep-P Fr= 1--      0.5208                 0.7445                 0.7495
  Dep-U Fr= 1--      0.6849                 0.8535                 0.8568
 Alpha2 Fr= 1--      0.3100                 0.0017                 0.0004
 Beta2  Fr= 1--      7.9244                 2.5287                 6.0107
 AlphaG Fr= 1--     -0.0833                -0.0004                -0.0000
 Gamma2 Fr= 1--      7.6560                 9.6969                -7.8404
 Delta2 Fr= 1--      6.4134                 4.8581                -5.2449
 Raman1 Fr= 1--     277.688                 71.103                168.364
 ROA1   Fr= 1--     940.205               1086.359               -920.515
 CID1   Fr= 1--       3.386                 15.279                 -5.467
 Raman2 Fr= 1--      95.093                 30.345                 72.128
 ROA2   Fr= 1--     132.437                193.860               -146.211
 CID2   Fr= 1--       1.393                  6.389                 -2.027
 Raman3 Fr= 1--     190.186                 60.689                144.256
 ROA3   Fr= 1--     940.205               1086.359               -920.515
 CID3   Fr= 1--       4.944                 17.900                 -6.381
 RC180  Fr= 1--       0.370                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.04   0.01   0.00    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.03   0.00    -0.01   0.03   0.00    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.01  -0.00     0.04  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.27   0.14  -0.27     0.28  -0.15   0.29     0.00  -0.00   0.00
    15   1    -0.17  -0.24   0.24     0.19   0.26  -0.26     0.00   0.00  -0.00
    16   1    -0.17   0.10  -0.18     0.18  -0.10   0.18     0.00  -0.00   0.00
    17   1     0.09   0.21   0.17    -0.10  -0.22  -0.18    -0.00  -0.00  -0.00
    18   1    -0.19  -0.11   0.20    -0.17  -0.10   0.18    -0.00  -0.00   0.00
    19   1     0.10  -0.22  -0.19     0.09  -0.21  -0.18     0.00  -0.00  -0.00
    20   1    -0.28  -0.15   0.28    -0.27  -0.14   0.27    -0.00  -0.00   0.00
    21   1    -0.18   0.25  -0.25    -0.18   0.24  -0.24    -0.00   0.00  -0.00
    22   1     0.01   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    28   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00   0.01   0.01    -0.00  -0.01  -0.00     0.00   0.44   0.23
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00     0.40  -0.28   0.15
    34   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.39  -0.28   0.15
    35   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.43   0.22
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.4483              3115.5192              3116.3548
 Red. masses --      1.1072                 1.1072                 1.1077
 Frc consts  --      6.3317                 6.3320                 6.3384
 IR Inten    --     12.4873                 4.6093                 6.7539
 RamAct Fr= 1--    123.1523               146.5489               133.6118
  Dep-P Fr= 1--      0.7485                 0.2379                 0.3486
  Dep-U Fr= 1--      0.8561                 0.3843                 0.5170
 Alpha2 Fr= 1--      0.0032                 1.7964                 1.1783
 Beta2  Fr= 1--     17.5726                 9.3876                11.5126
 AlphaG Fr= 1--      0.0005                 0.3434                -0.4878
 Gamma2 Fr= 1--    -53.6544                 1.9934                31.2574
 Delta2 Fr= 1--    -38.8924                 3.4245                 9.9186
 Raman1 Fr= 1--     492.609                586.196                534.447
 ROA1   Fr= 1--   -6395.382                300.956               3318.103
 CID1   Fr= 1--     -12.983                  0.513                  6.208
 Raman2 Fr= 1--     210.871                112.651                138.151
 ROA2   Fr= 1--    -976.567                 20.447                670.828
 CID2   Fr= 1--      -4.631                  0.182                  4.856
 Raman3 Fr= 1--     421.742                225.302                276.302
 ROA3   Fr= 1--   -6395.382                300.956               3318.103
 CID3   Fr= 1--     -15.164                  1.336                 12.009
 RC180  Fr= 1--       0.712                 -0.231                  0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.00
     3   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.04     0.00   0.03  -0.03     0.00   0.00  -0.00
     7   6    -0.03  -0.02  -0.04     0.02   0.02   0.04     0.00   0.00   0.00
     8   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.03   0.03     0.00  -0.03   0.04     0.00  -0.00   0.00
    12   6     0.02  -0.02  -0.04     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    13   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.17   0.08  -0.16     0.15  -0.08   0.15     0.01  -0.01   0.01
    15   1     0.20   0.26  -0.26    -0.18  -0.24   0.24    -0.02  -0.02   0.02
    16   1     0.18  -0.11   0.19    -0.16   0.10  -0.17    -0.01   0.01  -0.02
    17   1     0.14   0.35   0.28    -0.13  -0.32  -0.26    -0.01  -0.03  -0.02
    18   1    -0.16  -0.10   0.17    -0.18  -0.11   0.18    -0.01  -0.01   0.01
    19   1    -0.13   0.32   0.26    -0.14   0.34   0.28    -0.01   0.03   0.02
    20   1     0.15   0.08  -0.15     0.17   0.09  -0.17     0.01   0.01  -0.01
    21   1    -0.19   0.24  -0.24    -0.20   0.26  -0.26    -0.02   0.02  -0.02
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   1    -0.01   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.01  -0.33  -0.17
    33   1     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.47  -0.31   0.19
    34   1     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.47   0.32  -0.19
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.02    -0.01   0.33   0.18
    36   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.7816              3125.7933              3127.1169
 Red. masses --      1.1101                 1.1102                 1.1100
 Frc consts  --      6.3905                 6.3908                 6.3954
 IR Inten    --      3.6084                 5.2895                 3.1284
 RamAct Fr= 1--     28.1135                69.0578                49.7285
  Dep-P Fr= 1--      0.7500                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      4.0162                 9.8627                 7.1041
 AlphaG Fr= 1--      0.0000                 0.0013                -0.0000
 Gamma2 Fr= 1--     19.0815                37.6961               -30.5420
 Delta2 Fr= 1--      4.8571                 6.0597                -3.8045
 Raman1 Fr= 1--     112.454                276.231                198.914
 ROA1   Fr= 1--    1987.248               3812.736              -3053.772
 CID1   Fr= 1--      17.672                 13.803                -15.352
 Raman2 Fr= 1--      48.194                118.353                 85.249
 ROA2   Fr= 1--     419.098                856.229               -702.572
 CID2   Fr= 1--       8.696                  7.235                 -8.241
 Raman3 Fr= 1--      96.389                236.706                170.498
 ROA3   Fr= 1--    1987.248               3812.736              -3053.772
 CID3   Fr= 1--      20.617                 16.108                -17.911
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.06  -0.01
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.01
     3   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.03    -0.01   0.04  -0.05    -0.00   0.00  -0.00
     7   6     0.02   0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.01  -0.04   0.05    -0.00  -0.02   0.03     0.00   0.00  -0.00
    12   6    -0.03   0.01   0.04    -0.02   0.01   0.03     0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.19   0.10  -0.19     0.30  -0.15   0.29     0.01  -0.01   0.01
    15   1     0.14   0.18  -0.18    -0.21  -0.27   0.27    -0.01  -0.01   0.01
    16   1    -0.16   0.10  -0.17     0.25  -0.15   0.26     0.01  -0.01   0.01
    17   1    -0.07  -0.19  -0.15     0.12   0.29   0.24     0.00   0.01   0.01
    18   1     0.25   0.15  -0.26     0.17   0.10  -0.17    -0.01  -0.01   0.01
    19   1     0.12  -0.29  -0.24     0.08  -0.19  -0.16    -0.00   0.01   0.01
    20   1     0.29   0.15  -0.29     0.19   0.10  -0.19    -0.01  -0.01   0.01
    21   1    -0.21   0.27  -0.27    -0.14   0.18  -0.18     0.01  -0.01   0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    27   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    32   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.45   0.24
    33   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.38   0.26  -0.16
    34   1     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.38   0.26  -0.15
    35   1    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.45   0.24
    36   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.8252              3431.9629              3432.0150
 Red. masses --      1.0525                 1.0525                 1.0524
 Frc consts  --      7.3031                 7.3042                 7.3035
 IR Inten    --     51.1390               108.4899                92.3411
 RamAct Fr= 1--      5.3716                 1.7023                 2.3101
  Dep-P Fr= 1--      0.7169                 0.7217                 0.7283
  Dep-U Fr= 1--      0.8351                 0.8384                 0.8428
 Alpha2 Fr= 1--      0.0031                 0.0008                 0.0009
 Beta2  Fr= 1--      0.7477                 0.2379                 0.3245
 AlphaG Fr= 1--      0.0063                 0.0126                 0.0148
 Gamma2 Fr= 1--     16.6664                 4.5325                 6.6807
 Delta2 Fr= 1--     -0.0156                -0.2719                -0.3700
 Raman1 Fr= 1--      21.486                  6.809                  9.240
 ROA1   Fr= 1--    1599.473                426.416                629.508
 CID1   Fr= 1--      74.442                 62.624                 68.126
 Raman2 Fr= 1--       8.972                  2.854                  3.894
 ROA2   Fr= 1--     400.118                110.955                163.298
 CID2   Fr= 1--      44.597                 38.872                 41.937
 Raman3 Fr= 1--      17.944                  5.709                  7.788
 ROA3   Fr= 1--    1599.473                426.416                629.508
 CID3   Fr= 1--      89.139                 74.696                 80.833
 RC180  Fr= 1--       0.670                  0.677                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   7     0.00  -0.02   0.02     0.00  -0.02   0.02    -0.00   0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.02    -0.01   0.00   0.03     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7     0.01  -0.00  -0.03    -0.01   0.00   0.02    -0.00   0.00   0.02
     9   7    -0.00  -0.02   0.01     0.00   0.01  -0.01    -0.00  -0.03   0.03
    10   7     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.01   0.00   0.03     0.00   0.00   0.01
    14   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    21   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   1    -0.07  -0.06  -0.02     0.02   0.01   0.00    -0.31  -0.24  -0.09
    23   1     0.05   0.04  -0.10    -0.01  -0.01   0.02     0.21   0.17  -0.42
    24   1     0.27   0.11   0.07    -0.27  -0.11  -0.07    -0.14  -0.06  -0.04
    25   1    -0.19  -0.06   0.30     0.19   0.06  -0.31     0.09   0.03  -0.15
    26   1    -0.03   0.26   0.05     0.01  -0.09  -0.02    -0.05   0.46   0.09
    27   1     0.04  -0.04  -0.25    -0.01   0.02   0.09     0.06  -0.07  -0.44
    28   1    -0.27   0.11   0.07     0.23  -0.09  -0.06     0.16  -0.06  -0.04
    29   1     0.19  -0.06   0.30    -0.16   0.05  -0.25    -0.11   0.04  -0.18
    30   1     0.14  -0.11  -0.04     0.27  -0.21  -0.07    -0.04   0.03   0.01
    31   1    -0.09   0.08  -0.19    -0.18   0.14  -0.36     0.03  -0.02   0.05
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   1    -0.05  -0.06  -0.38    -0.05  -0.06  -0.36     0.01   0.02   0.09
    37   1     0.04   0.40   0.07     0.04   0.38   0.07    -0.01  -0.09  -0.02
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.0245              3433.1473              3434.1356
 Red. masses --      1.0529                 1.0527                 1.0528
 Frc consts  --      7.3112                 7.3105                 7.3150
 IR Inten    --      4.8974                 1.7810                 0.0964
 RamAct Fr= 1--     19.5645                12.0342               398.6122
  Dep-P Fr= 1--      0.6457                 0.7171                 0.0150
  Dep-U Fr= 1--      0.7847                 0.8353                 0.0295
 Alpha2 Fr= 1--      0.0367                 0.0068                 8.5531
 Beta2  Fr= 1--      2.5588                 1.6753                 1.9603
 AlphaG Fr= 1--     -0.0665                -0.0046                -0.3187
 Gamma2 Fr= 1--     -6.4101                -5.4214               -14.5799
 Delta2 Fr= 1--     -1.4467                 0.4442                -3.3004
 Raman1 Fr= 1--      78.258                 48.137               1594.449
 ROA1   Fr= 1--    -661.663               -506.241              -1505.286
 CID1   Fr= 1--      -8.455                -10.517                 -0.944
 Raman2 Fr= 1--      30.705                 20.104                 23.524
 ROA2   Fr= 1--    -142.269               -133.667               -323.515
 CID2   Fr= 1--      -4.633                 -6.649                -13.753
 Raman3 Fr= 1--      61.411                 40.207                 47.048
 ROA3   Fr= 1--    -661.663               -506.241              -1505.286
 CID3   Fr= 1--     -10.774                -12.591                -31.995
 RC180  Fr= 1--       0.569                  0.671                 -0.941
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00   0.01  -0.01     0.00  -0.02   0.02    -0.00   0.02  -0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.02     0.01  -0.00  -0.03    -0.00   0.00   0.02
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   7    -0.01   0.00   0.03    -0.00   0.00   0.01     0.00  -0.00  -0.02
     9   7    -0.00  -0.01   0.01    -0.00  -0.02   0.02    -0.00  -0.02   0.02
    10   7    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.00  -0.00  -0.03
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.02
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1     0.11   0.09   0.03     0.27   0.21   0.07     0.21   0.17   0.06
    23   1    -0.07  -0.06   0.15    -0.18  -0.15   0.37    -0.14  -0.12   0.29
    24   1     0.34   0.14   0.09    -0.05  -0.02  -0.01    -0.21  -0.09  -0.05
    25   1    -0.24  -0.08   0.39     0.03   0.01  -0.05     0.14   0.05  -0.23
    26   1    -0.01   0.13   0.02    -0.03   0.30   0.06    -0.03   0.31   0.06
    27   1     0.02  -0.02  -0.12     0.04  -0.05  -0.30     0.04  -0.05  -0.29
    28   1     0.34  -0.14  -0.08     0.13  -0.05  -0.03    -0.21   0.09   0.05
    29   1    -0.24   0.08  -0.38    -0.09   0.03  -0.14     0.15  -0.05   0.24
    30   1     0.18  -0.14  -0.05    -0.26   0.20   0.07     0.21  -0.16  -0.06
    31   1    -0.12   0.09  -0.24     0.17  -0.14   0.35    -0.14   0.11  -0.28
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.02   0.03   0.17    -0.04  -0.04  -0.26     0.04   0.04   0.27
    37   1    -0.02  -0.18  -0.03     0.03   0.27   0.05    -0.03  -0.29  -0.05
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6467              3480.8920              3482.1400
 Red. masses --      1.0925                 1.0926                 1.0930
 Frc consts  --      7.7981                 7.8001                 7.8081
 IR Inten    --     21.1383                42.2954                22.3241
 RamAct Fr= 1--     24.1651                21.2080                28.3755
  Dep-P Fr= 1--      0.7451                 0.5823                 0.6935
  Dep-U Fr= 1--      0.8539                 0.7360                 0.8190
 Alpha2 Fr= 1--      0.0020                 0.0666                 0.0280
 Beta2  Fr= 1--      3.4392                 2.6015                 3.8734
 AlphaG Fr= 1--      0.0107                 0.3196                -0.1354
 Gamma2 Fr= 1--    -35.7815                36.1359               -27.7733
 Delta2 Fr= 1--    -13.7358                18.8964               -11.6093
 Raman1 Fr= 1--      96.660                 84.832                113.502
 ROA1   Fr= 1--   -3874.567               4073.735              -3037.735
 CID1   Fr= 1--     -40.084                 48.021                -26.764
 Raman2 Fr= 1--      41.270                 31.218                 46.481
 ROA2   Fr= 1--    -748.869                716.091               -573.686
 CID2   Fr= 1--     -18.146                 22.939                -12.342
 Raman3 Fr= 1--      82.540                 62.435                 92.962
 ROA3   Fr= 1--   -3874.567               4073.735              -3037.735
 CID3   Fr= 1--     -46.942                 65.248                -32.677
 RC180  Fr= 1--       0.708                  0.472                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.01  -0.01     0.00   0.01   0.00    -0.01  -0.05  -0.05
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   7     0.04  -0.01   0.01    -0.06   0.02  -0.02    -0.01   0.00  -0.00
     9   7     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.02   0.02
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.06  -0.02   0.02    -0.04  -0.02   0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1    -0.01   0.00  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01   0.01  -0.01     0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.04   0.03   0.01    -0.05  -0.04  -0.02     0.21   0.16   0.07
    23   1     0.01   0.01  -0.03    -0.02  -0.01   0.04     0.08   0.07  -0.18
    24   1     0.55   0.23   0.17     0.39   0.16   0.12    -0.02  -0.01  -0.01
    25   1     0.25   0.08  -0.44     0.17   0.06  -0.31    -0.01  -0.00   0.01
    26   1    -0.01   0.11   0.02    -0.00   0.01   0.00     0.02  -0.20  -0.03
    27   1    -0.02   0.01   0.12    -0.00   0.00   0.00     0.03  -0.02  -0.21
    28   1    -0.37   0.15   0.11     0.56  -0.23  -0.17     0.10  -0.04  -0.03
    29   1    -0.17   0.05  -0.30     0.25  -0.08   0.44     0.05  -0.02   0.09
    30   1    -0.05   0.04   0.01    -0.03   0.02   0.01     0.09  -0.07  -0.03
    31   1    -0.02   0.01  -0.04    -0.01   0.01  -0.02     0.04  -0.03   0.08
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    33   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    36   1     0.02   0.01   0.12    -0.01  -0.01  -0.06     0.08   0.07   0.62
    37   1     0.01   0.11   0.02    -0.01  -0.06  -0.01     0.06   0.59   0.08
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.3000              3482.8984              3483.1671
 Red. masses --      1.0929                 1.0927                 1.0924
 Frc consts  --      7.8087                 7.8096                 7.8089
 IR Inten    --     53.8995                33.5367                28.8688
 RamAct Fr= 1--      9.8310                43.6497                20.3652
  Dep-P Fr= 1--      0.7025                 0.7131                 0.7450
  Dep-U Fr= 1--      0.8252                 0.8325                 0.8539
 Alpha2 Fr= 1--      0.0081                 0.0279                 0.0017
 Beta2  Fr= 1--      1.3521                 6.0564                 2.8983
 AlphaG Fr= 1--     -0.0312                 0.2762                 0.0148
 Gamma2 Fr= 1--    -13.0207                56.7293               -25.4312
 Delta2 Fr= 1--     -4.5546                 9.5691                 1.7844
 Raman1 Fr= 1--      39.324                174.599                 81.461
 ROA1   Fr= 1--   -1395.733               5752.229              -2384.294
 CID1   Fr= 1--     -35.493                 32.945                -29.269
 Raman2 Fr= 1--      16.226                 72.677                 34.779
 ROA2   Fr= 1--    -276.059               1284.951               -624.624
 CID2   Fr= 1--     -17.014                 17.680                -17.960
 Raman3 Fr= 1--      32.451                145.354                 69.558
 ROA3   Fr= 1--   -1395.733               5752.229              -2384.294
 CID3   Fr= 1--     -43.010                 39.574                -34.278
 RC180  Fr= 1--       0.650                  0.665                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.01  -0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7     0.02  -0.02   0.01    -0.03   0.02  -0.01    -0.05   0.04  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   7     0.01  -0.05  -0.05     0.00  -0.01  -0.01     0.00  -0.02  -0.02
    10   7    -0.00  -0.00   0.00    -0.05  -0.04   0.02     0.03   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.03   0.02   0.01     0.46   0.35   0.15    -0.31  -0.24  -0.10
    23   1     0.01   0.01  -0.03     0.19   0.16  -0.42    -0.12  -0.10   0.28
    24   1    -0.12  -0.05  -0.04     0.02   0.01   0.01     0.01   0.01   0.00
    25   1    -0.06  -0.02   0.10     0.01   0.00  -0.02     0.01   0.00  -0.01
    26   1    -0.06   0.59   0.08    -0.02   0.17   0.02    -0.02   0.19   0.03
    27   1    -0.08   0.07   0.61    -0.02   0.02   0.17    -0.03   0.02   0.20
    28   1     0.10  -0.04  -0.03     0.03  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.01   0.08     0.01  -0.00   0.02    -0.00   0.00  -0.01
    30   1    -0.20   0.15   0.07     0.29  -0.22  -0.10     0.47  -0.36  -0.16
    31   1    -0.08   0.06  -0.17     0.12  -0.10   0.26     0.19  -0.16   0.43
    32   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    36   1     0.03   0.02   0.21    -0.03  -0.02  -0.22     0.02   0.01   0.12
    37   1     0.02   0.20   0.03    -0.02  -0.21  -0.03     0.01   0.11   0.02

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2547.093632591.510643900.78218
           X            1.00000  -0.00006  -0.00000
           Y            0.00006   1.00000   0.00026
           Z            0.00000  -0.00026   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03401     0.03342     0.02220
 Rotational constants (GHZ):           0.70855     0.69641     0.46266
 Zero-point vibrational energy     925914.5 (Joules/Mol)
                                  221.29887 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    125.48   130.13   160.24   204.91   207.06
          (Kelvin)            231.08   308.06   308.85   314.55   356.95
                              422.83   438.84   439.33   467.88   477.79
                              573.96   579.96   582.98   662.93   667.76
                              721.75   772.46   782.07   797.71   983.74
                              994.33  1027.00  1037.28  1086.20  1110.96
                             1246.30  1247.29  1248.02  1250.15  1251.96
                             1260.27  1411.51  1414.26  1414.77  1438.09
                             1441.48  1448.70  1509.25  1509.29  1510.68
                             1603.74  1603.89  1614.80  1682.99  1686.56
                             1708.65  1756.70  1763.73  1790.71  1859.30
                             1860.15  1867.88  1915.12  1917.03  1930.08
                             1939.09  1939.60  1944.79  2020.70  2021.55
                             2025.28  2075.69  2077.31  2080.10  2162.24
                             2162.40  2163.42  2163.88  2164.96  2165.79
                             2361.25  2380.35  2383.37  2388.21  2400.10
                             2404.23  4415.84  4415.96  4419.21  4424.29
                             4424.70  4426.35  4482.44  4482.54  4483.74
                             4497.30  4497.32  4499.22  4937.63  4937.83
                             4937.90  4939.36  4939.53  4940.96  5007.87
                             5008.23  5010.02  5010.25  5011.11  5011.50
 
 Zero-point correction=                           0.352662 (Hartree/Particle)
 Thermal correction to Energy=                    0.367665
 Thermal correction to Enthalpy=                  0.368609
 Thermal correction to Gibbs Free Energy=         0.312257
 Sum of electronic and zero-point Energies=           -681.283147
 Sum of electronic and thermal Energies=              -681.268145
 Sum of electronic and thermal Enthalpies=            -681.267200
 Sum of electronic and thermal Free Energies=         -681.323553
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.713             60.557            118.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.621
 Vibrational            228.936             54.595             44.163
 Vibration     1          0.601              1.958              3.722
 Vibration     2          0.602              1.956              3.650
 Vibration     3          0.607              1.940              3.245
 Vibration     4          0.616              1.911              2.771
 Vibration     5          0.616              1.909              2.751
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.644              1.819              2.008
 Vibration     8          0.645              1.819              2.004
 Vibration     9          0.646              1.813              1.970
 Vibration    10          0.662              1.766              1.744
 Vibration    11          0.689              1.685              1.452
 Vibration    12          0.696              1.664              1.389
 Vibration    13          0.696              1.664              1.387
 Vibration    14          0.709              1.625              1.284
 Vibration    15          0.714              1.611              1.250
 Vibration    16          0.765              1.472              0.967
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.770              1.459              0.944
 Vibration    19          0.819              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.857              1.246              0.654
 Vibration    22          0.892              1.168              0.572
 Vibration    23          0.899              1.154              0.558
 Vibration    24          0.910              1.130              0.535
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.235523-143       -143.627967       -330.715616
 Total V=0       0.384803D+19         18.585239         42.794094
 Vib (Bot)       0.692506-158       -158.159577       -364.175884
 Vib (Bot)    1  0.235862D+01          0.372658          0.858078
 Vib (Bot)    2  0.227316D+01          0.356629          0.821170
 Vib (Bot)    3  0.183848D+01          0.264460          0.608941
 Vib (Bot)    4  0.142675D+01          0.154348          0.355400
 Vib (Bot)    5  0.141137D+01          0.149642          0.344564
 Vib (Bot)    6  0.125849D+01          0.099851          0.229916
 Vib (Bot)    7  0.926090D+00         -0.033347         -0.076784
 Vib (Bot)    8  0.923523D+00         -0.034552         -0.079560
 Vib (Bot)    9  0.905292D+00         -0.043211         -0.099497
 Vib (Bot)   10  0.787388D+00         -0.103811         -0.239034
 Vib (Bot)   11  0.649336D+00         -0.187530         -0.431805
 Vib (Bot)   12  0.621745D+00         -0.206388         -0.475226
 Vib (Bot)   13  0.620925D+00         -0.206961         -0.476545
 Vib (Bot)   14  0.576263D+00         -0.239379         -0.551192
 Vib (Bot)   15  0.561925D+00         -0.250321         -0.576386
 Vib (Bot)   16  0.447149D+00         -0.349548         -0.804863
 Vib (Bot)   17  0.441173D+00         -0.355391         -0.818318
 Vib (Bot)   18  0.438199D+00         -0.358329         -0.825082
 Vib (Bot)   19  0.368912D+00         -0.433077         -0.997197
 Vib (Bot)   20  0.365228D+00         -0.437436         -1.007234
 Vib (Bot)   21  0.327155D+00         -0.485246         -1.117321
 Vib (Bot)   22  0.295965D+00         -0.528759         -1.217513
 Vib (Bot)   23  0.290490D+00         -0.536869         -1.236187
 Vib (Bot)   24  0.281841D+00         -0.549995         -1.266411
 Vib (V=0)       0.113143D+05          4.053629          9.333827
 Vib (V=0)    1  0.291104D+01          0.464048          1.068509
 Vib (V=0)    2  0.282750D+01          0.451402          1.039392
 Vib (V=0)    3  0.240526D+01          0.381162          0.877659
 Vib (V=0)    4  0.201183D+01          0.303591          0.699043
 Vib (V=0)    5  0.199732D+01          0.300448          0.691808
 Vib (V=0)    6  0.185418D+01          0.268152          0.617443
 Vib (V=0)    7  0.155245D+01          0.191016          0.439832
 Vib (V=0)    8  0.155019D+01          0.190384          0.438376
 Vib (V=0)    9  0.153419D+01          0.185880          0.428004
 Vib (V=0)   10  0.143273D+01          0.156164          0.359580
 Vib (V=0)   11  0.131953D+01          0.120421          0.277279
 Vib (V=0)   12  0.129785D+01          0.113225          0.260710
 Vib (V=0)   13  0.129721D+01          0.113011          0.260218
 Vib (V=0)   14  0.126294D+01          0.101383          0.233443
 Vib (V=0)   15  0.125217D+01          0.097663          0.224878
 Vib (V=0)   16  0.117078D+01          0.068474          0.157668
 Vib (V=0)   17  0.116681D+01          0.067000          0.154272
 Vib (V=0)   18  0.116484D+01          0.066268          0.152588
 Vib (V=0)   19  0.112137D+01          0.049748          0.114548
 Vib (V=0)   20  0.111919D+01          0.048902          0.112602
 Vib (V=0)   21  0.109752D+01          0.040413          0.093053
 Vib (V=0)   22  0.108103D+01          0.033838          0.077914
 Vib (V=0)   23  0.107826D+01          0.032723          0.075348
 Vib (V=0)   24  0.107396D+01          0.030990          0.071356
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181644D+07          6.259220         14.412388
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005100   -0.000011887    0.000022263
      2        6           0.000024674   -0.000007295    0.000004029
      3        7          -0.000010636    0.000026720   -0.000042364
      4       45           0.000017130   -0.000084262   -0.000003418
      5        7          -0.000047401    0.000037833    0.000044979
      6        6           0.000006334   -0.000012716   -0.000025163
      7        6           0.000011055   -0.000018920    0.000010921
      8        7           0.000018590   -0.000022431   -0.000027330
      9        7          -0.000056269    0.000014816   -0.000004606
     10        7           0.000012714    0.000017478   -0.000043286
     11        6          -0.000007160    0.000033001    0.000052067
     12        6           0.000029748    0.000022177    0.000032591
     13        7           0.000022636   -0.000005004   -0.000024737
     14        1           0.000003460    0.000013517   -0.000027886
     15        1           0.000004111   -0.000004407    0.000002160
     16        1           0.000000319    0.000024622    0.000018310
     17        1           0.000003082   -0.000001730    0.000000535
     18        1          -0.000009274   -0.000014517   -0.000003400
     19        1          -0.000005202   -0.000001750    0.000001227
     20        1           0.000001694   -0.000015081    0.000022917
     21        1          -0.000005252   -0.000003557    0.000001696
     22        1           0.000008274   -0.000051368    0.000031366
     23        1          -0.000008175   -0.000011945    0.000016758
     24        1          -0.000013145    0.000002613   -0.000005732
     25        1           0.000009650    0.000013497   -0.000007122
     26        1          -0.000014991    0.000011089   -0.000003619
     27        1           0.000005990   -0.000001379    0.000007005
     28        1          -0.000019051   -0.000002055    0.000013357
     29        1           0.000018269   -0.000002927    0.000017093
     30        1           0.000010214    0.000025603   -0.000037802
     31        1          -0.000017459    0.000005819    0.000003228
     32        1          -0.000011035   -0.000007365   -0.000005448
     33        1           0.000001596    0.000005984   -0.000003788
     34        1          -0.000003859    0.000004921   -0.000004174
     35        1          -0.000001167    0.000009343   -0.000000539
     36        1           0.000012377   -0.000003162   -0.000011403
     37        1           0.000003060    0.000014724   -0.000020685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084262 RMS     0.000020496
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153259D+03 -0.154817D-02 -0.163560D-02
      2  -0.154817D-02  0.151797D+03  0.655795D-01
      3  -0.163560D-02  0.655795D-01  0.121378D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119557D+01 -0.542218D-01 -0.795603D-03
      2  -0.194228D-01  0.484905D+01 -0.124606D+01
      3  -0.221354D-01 -0.137769D+01 -0.607751D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.844204D+02 -0.487363D+00  0.201214D-01
      2   0.903075D+02  0.518624D+00  0.128646D-01
      3  -0.588713D+01 -0.312609D-01 -0.329860D-01
      4  -0.505376D+00  0.922821D+02 -0.436752D+01
      5  -0.621191D-01  0.722766D+00 -0.851662D+01
      6  -0.801034D+01 -0.705458D-01 -0.475620D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.366645D+01 -0.370782D+01  0.295598D+01 -0.541467D+01  0.136493D+01
      2  -0.370782D+01  0.989764D+00 -0.471190D+00  0.136493D+01  0.297454D+01
      3   0.295598D+01 -0.471190D+00  0.884781D+00 -0.128597D+01  0.293279D+01
                 6             7             8             9            10 
      1  -0.128597D+01  0.272444D+01 -0.834907D+00  0.109091D+01  0.360734D+01
      2   0.293279D+01 -0.834907D+00  0.220669D+01  0.726316D+00  0.370877D+01
      3   0.660979D+00  0.109091D+01  0.726316D+00 -0.709398D+00 -0.294429D+01
                11            12            13            14            15 
      1   0.370877D+01 -0.294429D+01  0.542419D+01  0.142509D+01 -0.127476D+01
      2   0.103966D+01 -0.458374D+00  0.142509D+01 -0.295673D+01 -0.293727D+01
      3  -0.458374D+00  0.874347D+00 -0.127476D+01 -0.293727D+01 -0.656769D+00
                16            17            18            19            20 
      1  -0.270993D+01 -0.822363D+00  0.108252D+01 -0.881084D+01 -0.481900D+01
      2  -0.822363D+00 -0.221017D+01 -0.722681D+00 -0.481900D+01 -0.181156D+01
      3   0.108252D+01 -0.722681D+00  0.712678D+00  0.515359D+01  0.149777D+01
                21            22            23            24            25 
      1   0.515359D+01 -0.232347D+01 -0.749076D+00  0.472812D+00  0.372881D+01
      2   0.149777D+01 -0.749076D+00  0.142909D+01  0.148677D+01  0.139943D+01
      3  -0.245844D+01  0.472812D+00  0.148677D+01 -0.880809D+00 -0.213758D+01
                26            27            28            29            30 
      1   0.139943D+01 -0.213758D+01  0.149992D+01  0.947302D-02  0.395654D-02
      2   0.209206D+01 -0.112242D+01  0.947302D-02 -0.170683D+01 -0.160628D+01
      3  -0.112242D+01 -0.136854D+01  0.395654D-02 -0.160628D+01  0.150678D+00
                31            32            33            34            35 
      1   0.115755D-01 -0.167192D+01  0.188161D+01  0.983546D-02 -0.102611D+00
      2  -0.167192D+01 -0.512503D-02  0.237686D-02 -0.102611D+00  0.165907D-01
      3   0.188161D+01  0.237686D-02  0.336304D-02  0.136154D+00  0.354205D-02
                36            37            38            39            40 
      1   0.136154D+00  0.547677D+01  0.386932D+01 -0.214951D+01  0.599662D+01
      2   0.354205D-02  0.386932D+01  0.163744D+01 -0.315322D+01  0.318140D+01
      3   0.291818D-02 -0.214951D+01 -0.315322D+01  0.220906D+01 -0.376160D+01
                41            42            43            44            45 
      1   0.318140D+01 -0.376160D+01 -0.203083D+01 -0.224701D+01  0.263681D+01
      2   0.294043D+01 -0.261614D+01 -0.224701D+01 -0.176974D+01  0.559555D-01
      3  -0.261614D+01  0.752329D+00  0.263681D+01  0.559555D-01  0.317349D+00
                46            47            48            49            50 
      1  -0.275296D+01 -0.986572D+00 -0.451597D+00 -0.172169D+01 -0.167439D+01
      2  -0.986572D+00 -0.102354D+01  0.312821D+01 -0.167439D+01 -0.117680D+01
      3  -0.451597D+00  0.312821D+01 -0.189610D+01  0.303631D+01  0.237304D+01
                51            52            53            54            55 
      1   0.303631D+01 -0.170155D+00  0.427909D+01 -0.289789D+01  0.534425D+00
      2   0.237304D+01  0.427909D+01  0.289613D+01 -0.822737D+00 -0.650338D+00
      3  -0.254319D+00 -0.289789D+01 -0.822737D+00  0.262234D+00  0.118001D+01
                56            57            58            59            60 
      1  -0.650338D+00  0.118001D+01 -0.465448D+00 -0.318263D+00 -0.276197D+01
      2  -0.139197D+01 -0.266626D+01 -0.318263D+00 -0.451535D+01 -0.299007D+01
      3  -0.266626D+01  0.847511D+00 -0.276197D+01 -0.299007D+01 -0.154542D+01
                61            62            63            64            65 
      1   0.168352D+01 -0.341838D+01  0.856006D+00  0.119794D+01  0.112422D+00
      2  -0.341838D+01 -0.453161D+01 -0.270880D+01  0.112422D+00  0.310802D+01
      3   0.856006D+00 -0.270880D+01 -0.804725D-01 -0.654754D+00  0.213424D+01
                66            67            68            69            70 
      1  -0.654754D+00 -0.112523D+00  0.561027D+00  0.161501D+01 -0.266011D+00
      2   0.213424D+01  0.561027D+00  0.111416D+02  0.506319D+01  0.106514D+01
      3  -0.553927D+00  0.161501D+01  0.506319D+01  0.198262D+01 -0.128689D+01
                71            72            73            74            75 
      1   0.106514D+01 -0.128689D+01 -0.884192D+01  0.479697D+01 -0.515591D+01
      2   0.378939D+01  0.210576D+01  0.479697D+01 -0.177164D+01  0.149141D+01
      3   0.210576D+01 -0.424079D+00 -0.515591D+01  0.149141D+01 -0.247195D+01
                76            77            78            79            80 
      1   0.229336D+01 -0.715609D+00  0.461483D+00 -0.373961D+01  0.140147D+01
      2  -0.715609D+00 -0.143923D+01 -0.148707D+01  0.140147D+01 -0.209412D+01
      3   0.461483D+00 -0.148707D+01  0.861799D+00 -0.215015D+01  0.110772D+01
                81            82            83            84            85 
      1  -0.215015D+01  0.551456D+01 -0.386098D+01  0.216257D+01 -0.599352D+01
      2   0.110772D+01 -0.386098D+01  0.163183D+01 -0.316532D+01  0.316434D+01
      3   0.136706D+01  0.216257D+01 -0.316532D+01  0.220532D+01 -0.377496D+01
                86            87            88            89            90 
      1   0.316434D+01 -0.377496D+01  0.203080D+01 -0.225342D+01  0.263002D+01
      2  -0.292824D+01  0.258845D+01 -0.225342D+01  0.174863D+01 -0.488455D-01
      3   0.258845D+01 -0.745421D+00  0.263002D+01 -0.488455D-01 -0.306285D+00
                91            92            93            94            95 
      1  -0.277133D+01  0.980766D+00  0.426938D+00  0.171848D+01 -0.167852D+01
      2   0.980766D+00 -0.103545D+01  0.314702D+01 -0.167852D+01  0.117342D+01
      3   0.426938D+00  0.314702D+01 -0.188532D+01  0.305151D+01 -0.234676D+01
                96            97            98            99           100 
      1   0.305151D+01  0.139215D+00  0.429588D+01 -0.288699D+01  0.529218D+00
      2  -0.234676D+01  0.429588D+01 -0.285973D+01  0.805068D+00  0.665235D+00
      3   0.241900D+00 -0.288699D+01  0.805068D+00 -0.266640D+00 -0.115393D+01
               101           102           103           104           105 
      1   0.665235D+00 -0.115393D+01  0.471482D+00 -0.313368D+00 -0.278005D+01
      2  -0.139962D+01 -0.268789D+01 -0.313368D+00  0.448118D+01  0.295363D+01
      3  -0.268789D+01  0.827463D+00 -0.278005D+01  0.295363D+01  0.155558D+01
               106           107           108           109           110 
      1  -0.164916D+01 -0.344533D+01  0.830212D+00  0.120117D+01 -0.122116D+00
      2  -0.344533D+01  0.450047D+01  0.272670D+01 -0.122116D+00  0.314362D+01
      3   0.830212D+00  0.272670D+01  0.913899D-01  0.634880D+00  0.215726D+01
               111           112           113           114           115 
      1   0.634880D+00  0.112354D+00  0.598329D+00  0.163490D+01  0.255428D+00
      2   0.215726D+01  0.598329D+00 -0.111095D+02 -0.504483D+01  0.108103D+01
      3  -0.542127D+00  0.163490D+01 -0.504483D+01 -0.199139D+01 -0.127304D+01
               116           117           118           119           120 
      1   0.108103D+01 -0.127304D+01  0.502916D+01  0.176669D+00  0.156683D+01
      2  -0.379884D+01 -0.212753D+01  0.176669D+00  0.134454D+01 -0.267850D+00
      3  -0.212753D+01  0.421502D+00  0.156683D+01 -0.267850D+00  0.140747D+01
               121           122           123           124           125 
      1  -0.764444D+00  0.858421D+00 -0.521443D+00  0.261229D+01 -0.466962D+00
      2   0.858421D+00 -0.831783D+00  0.412771D+00 -0.466962D+00  0.905186D+00
      3  -0.521443D+00  0.412771D+00 -0.424426D+00  0.200524D+01 -0.769079D-02
               126           127           128           129           130 
      1   0.200524D+01  0.432579D+01  0.277243D+01 -0.149942D+01  0.269408D+01
      2  -0.769079D-02  0.277243D+01  0.246100D+01 -0.133489D+01  0.297554D+01
      3   0.217983D+01 -0.149942D+01 -0.133489D+01  0.138317D+01 -0.136599D+01
               131           132           133           134           135 
      1   0.297554D+01 -0.136599D+01 -0.243776D+01 -0.251247D+01  0.243726D+01
      2   0.529187D+01 -0.193189D+01 -0.251247D+01 -0.282433D+01  0.233982D+01
      3  -0.193189D+01  0.152167D+01  0.243726D+01  0.233982D+01 -0.278308D+01
               136           137           138           139           140 
      1  -0.252275D+01  0.110798D+01 -0.111052D+01  0.967900D+00 -0.105693D+01
      2   0.110798D+01 -0.212309D+01  0.857470D+00 -0.105693D+01  0.351398D+01
      3  -0.111052D+01  0.857470D+00 -0.112959D+01  0.557683D+00 -0.932796D+00
               141           142           143           144           145 
      1   0.557683D+00 -0.172484D+01  0.985498D+00 -0.103746D+01  0.147695D+01
      2  -0.932796D+00  0.985498D+00 -0.173116D+01  0.176510D+01  0.192816D+01
      3   0.979192D+00 -0.103746D+01  0.176510D+01 -0.229559D+01  0.537235D+00
               146           147           148           149           150 
      1   0.192816D+01  0.537235D+00  0.150707D+01  0.186243D+01  0.822310D+00
      2   0.212548D+01  0.856468D+00  0.186243D+01  0.864323D+01  0.268729D+01
      3   0.856468D+00  0.575977D+00  0.822310D+00  0.268729D+01  0.187484D+01
               151           152           153           154           155 
      1   0.484148D+00  0.139826D+01  0.747215D+00 -0.250799D+01 -0.110795D+01
      2   0.139826D+01  0.476797D+01  0.316182D+01 -0.110795D+01 -0.212456D+01
      3   0.747215D+00  0.316182D+01  0.254176D+01  0.110016D+01  0.856631D+00
               156           157           158           159           160 
      1   0.110016D+01 -0.972134D+00 -0.105854D+01  0.558033D+00  0.171113D+01
      2   0.856631D+00 -0.105854D+01 -0.354670D+01  0.944164D+00  0.985718D+00
      3  -0.112062D+01  0.558033D+00  0.944164D+00 -0.985843D+00 -0.102612D+01
               161           162           163           164           165 
      1   0.985718D+00 -0.102612D+01  0.150059D+01 -0.193943D+01 -0.547848D+00
      2   0.174468D+01 -0.176989D+01 -0.193943D+01  0.214751D+01  0.869856D+00
      3  -0.176989D+01  0.228804D+01 -0.547848D+00  0.869856D+00  0.589021D+00
               166           167           168           169           170 
      1  -0.151543D+01  0.187772D+01  0.833356D+00 -0.499968D+00  0.141847D+01
      2   0.187772D+01 -0.858914D+01 -0.268212D+01  0.141847D+01 -0.476304D+01
      3   0.833356D+00 -0.268212D+01 -0.187573D+01  0.765575D+00 -0.316598D+01
               171           172           173           174           175 
      1   0.765575D+00  0.502847D+01 -0.160010D+00 -0.156069D+01  0.780610D+00
      2  -0.316598D+01 -0.160010D+00  0.134378D+01 -0.275324D+00  0.862423D+00
      3  -0.255719D+01 -0.156069D+01 -0.275324D+00  0.140205D+01 -0.528031D+00
               176           177           178           179           180 
      1   0.862423D+00 -0.528031D+00 -0.260034D+01 -0.479370D+00  0.200019D+01
      2   0.853187D+00 -0.417498D+00 -0.479370D+00 -0.908795D+00  0.193604D-01
      3  -0.417498D+00  0.431760D+00  0.200019D+01  0.193604D-01 -0.217389D+01
               181           182           183           184           185 
      1   0.436124D+01 -0.278007D+01  0.150909D+01 -0.270167D+01  0.297882D+01
      2  -0.278007D+01  0.246611D+01 -0.133731D+01  0.297882D+01 -0.526752D+01
      3   0.150909D+01 -0.133731D+01  0.138701D+01 -0.136689D+01  0.191955D+01
               186           187           188           189           190 
      1  -0.136689D+01  0.245085D+01 -0.251195D+01  0.244123D+01  0.421999D+01
      2   0.191955D+01 -0.251195D+01  0.280265D+01 -0.232853D+01  0.102671D+01
      3  -0.151500D+01  0.244123D+01 -0.232853D+01  0.277744D+01  0.169480D+01
               191           192           193           194           195 
      1   0.102671D+01  0.169480D+01  0.259985D+01  0.406431D-01  0.185243D+01
      2   0.159790D+01  0.825264D+00  0.406431D-01  0.208026D+01 -0.113949D+00
      3   0.825264D+00  0.142355D+01  0.185243D+01 -0.113949D+00  0.134080D+01
               196           197           198           199           200 
      1   0.905801D+00  0.111980D+01  0.879847D+00 -0.164092D+01  0.132322D+01
      2   0.111980D+01  0.224276D-01  0.649048D+00  0.132322D+01 -0.981532D+00
      3   0.879847D+00  0.649048D+00  0.168040D+01 -0.171524D+00  0.103255D+01
               201           202           203           204           205 
      1  -0.171524D+00  0.775654D-01 -0.678463D-01  0.396648D+00  0.106711D+01
      2   0.103255D+01 -0.678463D-01 -0.120446D+01  0.873533D+00 -0.145617D+00
      3  -0.157178D+01  0.396648D+00  0.873533D+00 -0.128257D+01  0.661902D-01
               206           207           208           209           210 
      1  -0.145617D+00  0.661902D-01 -0.344918D+01 -0.101938D+01 -0.152884D+01
      2   0.123483D+01 -0.127537D+01 -0.101938D+01 -0.355596D+01 -0.192661D+01
      3  -0.127537D+01  0.559941D+01 -0.152884D+01 -0.192661D+01 -0.179900D+01
               211           212           213           214           215 
      1  -0.160906D+01 -0.134762D+01 -0.957077D+00 -0.126538D+01 -0.921302D+00
      2  -0.134762D+01 -0.110246D+01 -0.116064D+00 -0.921302D+00  0.248222D+00
      3  -0.957077D+00 -0.116064D+00 -0.663439D+00 -0.961133D+00 -0.535043D+00
               216           217           218           219           220 
      1  -0.961133D+00  0.871494D+00 -0.678910D+00 -0.126097D+01 -0.493467D+00
      2  -0.535043D+00 -0.678910D+00  0.151652D+01  0.430382D+00 -0.863186D-01
      3  -0.175222D+01 -0.126097D+01  0.430382D+00  0.191276D+01 -0.221685D+00
               221           222           223           224           225 
      1  -0.863186D-01 -0.221685D+00 -0.109001D+01  0.167422D+00  0.111628D+01
      2   0.216898D+01  0.448048D+00  0.167422D+00 -0.128383D+01 -0.751353D+00
      3   0.448048D+00  0.610736D+00  0.111628D+01 -0.751353D+00 -0.548666D+01
               226           227           228           229           230 
      1   0.620031D+00  0.368388D+00  0.944155D+00  0.231897D+01 -0.112603D+01
      2   0.368388D+00 -0.100386D+01 -0.162700D+00 -0.112603D+01  0.567594D+01
      3   0.944155D+00 -0.162700D+00  0.248989D+00  0.794741D+00 -0.877971D+00
               231           232           233           234           235 
      1   0.794741D+00  0.190550D+01 -0.433095D+00  0.629891D+00  0.106854D+01
      2  -0.877971D+00 -0.433095D+00  0.227070D-01  0.459787D+00 -0.856747D+00
      3   0.118376D+01  0.629891D+00  0.459787D+00 -0.216338D+00  0.153714D+00
               236           237           238           239           240 
      1  -0.856747D+00  0.153714D+00 -0.137151D+01  0.126838D+00 -0.477506D+00
      2  -0.777373D-01 -0.395884D+00  0.126838D+00  0.715005D+00 -0.548557D+00
      3  -0.395884D+00  0.701418D+00 -0.477506D+00 -0.548557D+00 -0.354032D+00
               241           242           243           244           245 
      1  -0.171192D+01  0.202123D+00 -0.875529D+00 -0.346266D+01  0.102573D+01
      2   0.202123D+00 -0.955126D+00  0.105776D+01  0.102573D+01 -0.355533D+01
      3  -0.875529D+00  0.105776D+01 -0.695716D+01  0.154124D+01 -0.192292D+01
               246           247           248           249           250 
      1   0.154124D+01  0.160703D+01 -0.134177D+01 -0.952700D+00  0.127266D+01
      2  -0.192292D+01 -0.134177D+01  0.107843D+01  0.106527D+00 -0.916397D+00
      3  -0.180350D+01 -0.952700D+00  0.106527D+00  0.659267D+00 -0.964444D+00
               251           252           253           254           255 
      1  -0.916397D+00 -0.964444D+00  0.867435D+00  0.677996D+00  0.126421D+01
      2  -0.250278D+00  0.536206D+00  0.677996D+00  0.153196D+01  0.439496D+00
      3   0.536206D+00  0.175714D+01  0.126421D+01  0.439496D+00  0.191983D+01
               256           257           258           259           260 
      1   0.497772D+00 -0.740716D-01 -0.215374D+00  0.109029D+01  0.169109D+00
      2  -0.740716D-01 -0.216410D+01 -0.447003D+00  0.169109D+00  0.128858D+01
      3  -0.215374D+00 -0.447003D+00 -0.598703D+00  0.111770D+01  0.762125D+00
               261           262           263           264           265 
      1   0.111770D+01  0.424532D+01 -0.102378D+01 -0.169766D+01 -0.259055D+01
      2   0.762125D+00 -0.102378D+01  0.160427D+01  0.816985D+00  0.380751D-01
      3   0.548711D+01 -0.169766D+01  0.816985D+00  0.142172D+01  0.184341D+01
               266           267           268           269           270 
      1   0.380751D-01  0.184341D+01 -0.902026D+00  0.111773D+01  0.872781D+00
      2  -0.207944D+01  0.128954D+00  0.111773D+01 -0.736021D-02 -0.644360D+00
      3   0.128954D+00 -0.133047D+01  0.872781D+00 -0.644360D+00 -0.166556D+01
               271           272           273           274           275 
      1  -0.162768D+01 -0.132655D+01  0.168143D+00 -0.859877D-01 -0.731207D-01
      2  -0.132655D+01 -0.987693D+00  0.103069D+01 -0.731207D-01  0.119439D+01
      3   0.168143D+00  0.103069D+01 -0.156957D+01  0.396577D+00 -0.864676D+00
               276           277           278           279           280 
      1   0.396577D+00 -0.107027D+01 -0.150820D+00  0.708826D-01 -0.107073D+01
      2  -0.864676D+00 -0.150820D+00 -0.123648D+01  0.126997D+01 -0.829357D+00
      3   0.126860D+01  0.708826D-01  0.126997D+01 -0.561295D+01 -0.102643D+01
               281           282           283           284           285 
      1  -0.829357D+00 -0.102643D+01 -0.155312D+01 -0.128882D+01 -0.521233D+00
      2  -0.429457D+00 -0.202964D+00 -0.128882D+01 -0.423473D+01 -0.204615D+01
      3  -0.202964D+00 -0.429211D+00 -0.521233D+00 -0.204615D+01 -0.221339D+01
               286           287           288           289           290 
      1  -0.159501D+01 -0.383206D+00 -0.913412D+00 -0.901173D+01  0.227415D+01
      2  -0.383206D+00 -0.149732D+01 -0.153837D+01  0.227415D+01 -0.159999D+01
      3  -0.913412D+00 -0.153837D+01 -0.218581D+01 -0.243623D+01  0.618858D+00
               291           292           293           294           295 
      1  -0.243623D+01  0.426611D+01 -0.248347D+01  0.138942D+01 -0.274974D+01
      2   0.618858D+00 -0.248347D+01  0.140986D+01 -0.126828D+01  0.787635D+00
      3  -0.182798D+01  0.138942D+01 -0.126828D+01  0.898415D+00 -0.242106D+01
               296           297           298           299           300 
      1   0.787635D+00 -0.242106D+01 -0.897820D+01 -0.229524D+01  0.241856D+01
      2  -0.767137D+00  0.651514D+00 -0.229524D+01 -0.161428D+01  0.619443D+00
      3   0.651514D+00 -0.149331D+01  0.241856D+01  0.619443D+00 -0.181705D+01
               301           302           303           304           305 
      1  -0.429041D+01 -0.250820D+01  0.138936D+01  0.272870D+01  0.790175D+00
      2  -0.250820D+01 -0.143971D+01  0.127304D+01  0.790175D+00  0.770745D+00
      3   0.138936D+01  0.127304D+01 -0.904011D+00 -0.240902D+01 -0.658713D+00
               306           307           308           309           310 
      1  -0.240902D+01 -0.108264D+01  0.836589D+00  0.102901D+01  0.156558D+01
      2  -0.658713D+00  0.836589D+00 -0.445728D+00 -0.212373D+00 -0.130431D+01
      3   0.148128D+01  0.102901D+01 -0.212373D+00 -0.441348D+00 -0.529534D+00
               311           312           313           314           315 
      1  -0.130431D+01 -0.529534D+00  0.159867D+01 -0.388626D+00 -0.920466D+00
      2   0.422370D+01  0.204169D+01 -0.388626D+00  0.149422D+01  0.153436D+01
      3   0.204169D+01  0.221122D+01 -0.920466D+00  0.153436D+01  0.218235D+01
               316           317           318           319           320 
      1   0.105540D+01  0.861728D+00 -0.150319D+00  0.138269D+01  0.137954D+00
      2   0.861728D+00 -0.701278D-01 -0.395560D+00  0.137954D+00 -0.709251D+00
      3  -0.150319D+00 -0.395560D+00  0.693653D+00 -0.482310D+00  0.543575D+00
               321           322           323           324           325 
      1  -0.482310D+00  0.171099D+01  0.205952D+00 -0.878550D+00  0.633324D+00
      2   0.543575D+00  0.205952D+00  0.953914D+00 -0.105071D+01 -0.358450D+00
      3   0.369156D+00 -0.878550D+00 -0.105071D+01  0.696131D+01 -0.944631D+00
               326           327           328           329           330 
      1  -0.358450D+00 -0.944631D+00 -0.231419D+01 -0.111579D+01  0.791482D+00
      2  -0.979445D+00 -0.167106D+00 -0.111579D+01 -0.568884D+01  0.889677D+00
      3  -0.167106D+00  0.251728D+00  0.791482D+00  0.889677D+00 -0.118626D+01
               331           332           333 
      1  -0.189722D+01 -0.436082D+00  0.626824D+00
      2  -0.436082D+00 -0.170028D-01 -0.458909D+00
      3   0.626824D+00 -0.458909D+00  0.223986D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.214448D+01 -0.443933D+00  0.160332D+00  0.607024D+00 -0.223957D+01
      2  -0.514839D+01 -0.669149D+01  0.686051D+01 -0.813419D+01 -0.765878D+01
      3  -0.102251D+02 -0.143218D+01  0.282181D+01  0.799738D+00  0.110266D+02
                 6             7             8             9            10 
      1  -0.402432D+01  0.663831D+00 -0.150507D+00 -0.858866D+00  0.213695D+01
      2  -0.654869D+01  0.286345D+01 -0.182972D+01  0.220445D+01  0.521735D+01
      3   0.814464D+01  0.407330D+01  0.848379D+01  0.433207D+01  0.102397D+02
                11            12            13            14            15 
      1   0.499884D+00 -0.171888D+00 -0.539212D+00 -0.224567D+01 -0.404232D+01
      2  -0.672656D+01  0.685198D+01 -0.818228D+01  0.758423D+01  0.654340D+01
      3  -0.129398D+01  0.288596D+01  0.963412D+00 -0.110033D+02 -0.814087D+01
                16            17            18            19            20 
      1  -0.670681D+00 -0.154594D+00 -0.841668D+00 -0.186823D+01  0.748417D+01
      2   0.286059D+01  0.182365D+01 -0.219755D+01 -0.229986D+02 -0.358706D+01
      3   0.414759D+01 -0.847828D+01 -0.432533D+01 -0.173720D+02  0.193152D+01
                21            22            23            24            25 
      1   0.364244D+01  0.209822D+02  0.170506D+02 -0.112606D+02  0.144091D+02
      2  -0.225572D+00 -0.194535D+01 -0.305000D+01 -0.119681D+01 -0.269724D+02
      3   0.453748D+01  0.283863D+02  0.188033D+02 -0.115082D+02  0.483588D+01
                26            27            28            29            30 
      1   0.752073D+01 -0.158158D+02 -0.210650D+01  0.132702D-01  0.245692D-01
      2  -0.103658D+02  0.241722D+02  0.500729D-02  0.117318D+01 -0.909187D+01
      3  -0.262875D+01 -0.118693D+01 -0.237272D-01  0.152232D+02  0.104183D+01
                31            32            33            34            35 
      1  -0.313470D-01  0.127046D+00  0.106439D+02  0.761170D-02 -0.191721D+02
      2  -0.322197D+00 -0.243679D-01 -0.210778D-01  0.211675D+02  0.168910D-01
      3  -0.176672D+02  0.438354D-01  0.456045D-01  0.503409D+00  0.112956D-01
                36            37            38            39            40 
      1   0.538263D+00 -0.518620D+01  0.940265D+01  0.628740D+01  0.163821D+02
      2  -0.932761D-02 -0.243559D+02 -0.100108D+02  0.841823D+01  0.468593D+00
      3  -0.686873D-02 -0.232906D+02 -0.222382D+01  0.118038D+02  0.229904D+02
                41            42            43            44            45 
      1   0.143444D+02 -0.669204D+01  0.134736D+02  0.916709D+01 -0.830469D+01
      2   0.210397D+00 -0.993270D+01 -0.221098D+02 -0.200784D+02  0.211251D+02
      3   0.200809D+02 -0.113260D+02  0.407465D+01 -0.674229D+01  0.393226D+01
                46            47            48            49            50 
      1   0.646822D+01 -0.507557D+01  0.272945D+01 -0.442881D+01 -0.860145D+01
      2  -0.468542D+01  0.556204D+01 -0.184189D+01  0.425110D+01  0.585687D+01
      3  -0.404240D+01  0.533520D-01 -0.979643D+01  0.540579D+01 -0.243728D+01
                51            52            53            54            55 
      1  -0.611884D+01  0.739226D+00 -0.321442D+01  0.211001D+01 -0.122736D+01
      2   0.283019D+01 -0.371770D+01  0.402117D+01 -0.175403D+01 -0.735307D+00
      3  -0.283390D+01 -0.139699D+02 -0.132146D+01 -0.492652D+01  0.557824D+01
                56            57            58            59            60 
      1   0.948934D+01 -0.633153D+01  0.107693D+02  0.302666D+01 -0.695402D+00
      2  -0.437843D+01  0.414721D+01 -0.379100D+01 -0.210658D+00  0.690480D+00
      3  -0.416938D+01  0.309850D+01  0.775756D+00  0.363776D+00 -0.956672D+01
                61            62            63            64            65 
      1  -0.620805D+01 -0.182915D+00 -0.250019D+01  0.173910D+00  0.213812D+01
      2   0.116637D+00  0.138513D+01  0.939931D+00 -0.220803D+01  0.221826D+02
      3   0.597426D+01 -0.124254D+02  0.523325D+01 -0.489659D+00 -0.375174D+02
                66            67            68            69            70 
      1   0.644781D+01 -0.184337D+01 -0.236318D+02  0.116793D+01  0.759971D+01
      2   0.134987D+02  0.105098D+02 -0.146825D+01 -0.261879D+01  0.160056D+01
      3  -0.157376D+02 -0.107604D+02  0.438656D+01  0.476213D+01 -0.760337D+01
                71            72            73            74            75 
      1   0.340303D+02  0.217256D+02 -0.184045D+01 -0.752106D+01 -0.357745D+01
      2   0.605511D-01  0.306359D+01  0.230666D+02 -0.354437D+01 -0.160311D+00
      3   0.735503D+00 -0.390987D+01  0.172970D+02  0.200343D+01  0.450534D+01
                76            77            78            79            80 
      1  -0.210088D+02  0.169399D+02 -0.112494D+02 -0.143488D+02  0.748265D+01
      2  -0.196383D+01  0.309422D+01  0.119011D+01 -0.269662D+02  0.103418D+02
      3   0.284093D+02 -0.186833D+02  0.114866D+02  0.484194D+01  0.262391D+01
                81            82            83            84            85 
      1  -0.157280D+02 -0.518145D+01 -0.943641D+01 -0.633735D+01 -0.164435D+02
      2  -0.242235D+02  0.242844D+02 -0.100087D+02  0.836764D+01  0.517794D+00
      3   0.114913D+01  0.231625D+02 -0.213051D+01  0.118059D+02  0.231133D+02
                86            87            88            89            90 
      1   0.142779D+02 -0.673420D+01 -0.134425D+02  0.903796D+01 -0.824808D+01
      2  -0.230776D+00  0.998861D+01 -0.221730D+02  0.200350D+02 -0.211068D+02
      3  -0.200313D+02  0.113845D+02  0.405826D+01  0.679455D+01 -0.392730D+01
                91            92            93            94            95 
      1   0.641081D+01  0.512481D+01 -0.266200D+01  0.446793D+01 -0.850163D+01
      2   0.468020D+01  0.562654D+01 -0.180353D+01  0.428503D+01 -0.581097D+01
      3   0.405290D+01  0.107130D+00 -0.981192D+01  0.543699D+01  0.244945D+01
                96            97            98            99           100 
      1  -0.614109D+01 -0.675270D+00 -0.324138D+01  0.209156D+01 -0.114198D+01
      2  -0.288296D+01 -0.366914D+01 -0.408819D+01  0.175974D+01  0.767322D+00
      3   0.276815D+01 -0.139565D+02  0.122208D+01  0.492706D+01 -0.556132D+01
               101           102           103           104           105 
      1  -0.952636D+01  0.626993D+01 -0.107947D+02  0.297794D+01 -0.630539D+00
      2  -0.442011D+01  0.415889D+01 -0.383252D+01  0.187705D+00 -0.679753D+00
      3  -0.422624D+01  0.305800D+01  0.738489D+00 -0.435294D+00  0.959538D+01
               106           107           108           109           110 
      1   0.614774D+01 -0.981197D-01 -0.246335D+01  0.160010D+00 -0.215665D+01
      2   0.123098D+00 -0.137762D+01 -0.939355D+00  0.209708D+01  0.221646D+02
      3   0.589959D+01  0.124711D+02 -0.518308D+01  0.653056D+00 -0.374763D+02
               111           112           113           114           115 
      1  -0.651421D+01  0.188979D+01 -0.236132D+02  0.110144D+01 -0.771488D+01
      2   0.134551D+02  0.105128D+02  0.153789D+01  0.268360D+01  0.156164D+01
      3  -0.157095D+02 -0.107210D+02 -0.459322D+01 -0.483027D+01 -0.757397D+01
               116           117           118           119           120 
      1   0.340246D+02  0.217555D+02 -0.438291D+01  0.118251D+01 -0.315666D+01
      2   0.513842D-01 -0.300191D+01  0.534736D+01 -0.107990D+01  0.528474D+01
      3  -0.763265D+00  0.390145D+01  0.119240D+02 -0.472393D+01  0.511324D+01
               121           122           123           124           125 
      1   0.161095D+01 -0.966552D+00  0.644582D+00 -0.455918D+01  0.213802D+01
      2  -0.179476D+01  0.145599D+01 -0.222371D+01  0.466959D+01 -0.605980D+00
      3  -0.387826D+01  0.668757D+01 -0.296588D+01  0.813752D+01 -0.496376D+01
               126           127           128           129           130 
      1  -0.619948D+01  0.177951D+01  0.106683D+01 -0.355557D+01  0.228708D+01
      2   0.719243D+01 -0.717594D+00 -0.110343D+01  0.345871D+01 -0.205042D+01
      3   0.514806D+01  0.464673D+01 -0.176379D+00 -0.990181D+00  0.109400D+01
               131           132           133           134           135 
      1   0.147389D+01 -0.408124D+01 -0.221990D+01 -0.306605D+00  0.559368D+01
      2  -0.259114D+01  0.347650D+01  0.128456D+01  0.225595D+01 -0.515071D+01
      3  -0.511981D+01  0.781100D+00  0.868676D+00  0.354306D+01  0.240425D+00
               136           137           138           139           140 
      1   0.476383D+01 -0.344519D+01  0.503727D+01 -0.246985D+01  0.345556D+01
      2  -0.976324D+00  0.766683D+00  0.358720D+00  0.622388D+00 -0.504883D+00
      3  -0.121777D+02  0.389831D+01 -0.536975D+01  0.440768D+01 -0.636681D+01
               141           142           143           144           145 
      1  -0.393804D+01  0.437459D+01 -0.468494D+01  0.938334D+01 -0.533988D+00
      2   0.283670D+00 -0.217498D+01  0.597280D+00 -0.170992D+01 -0.243547D+00
      3   0.278721D+01 -0.811286D+01  0.454647D+01 -0.507805D+01  0.298755D+01
               146           147           148           149           150 
      1  -0.254897D+01 -0.193184D+01 -0.104763D+01 -0.425077D+01 -0.666434D+01
      2   0.357174D+00  0.976963D+00 -0.397365D+00  0.147430D+01  0.197621D+01
      3   0.287086D+01  0.776680D+00  0.473346D+01 -0.237704D+01 -0.381132D+00
               151           152           153           154           155 
      1  -0.704549D+00 -0.272087D+01 -0.694890D+01  0.472644D+01  0.345110D+01
      2  -0.128079D+01  0.686003D+00  0.211201D+01  0.977246D+00  0.775266D+00
      3   0.247223D+01  0.249331D+01 -0.287003D+00  0.121441D+02  0.393726D+01
               156           157           158           159           160 
      1  -0.500971D+01  0.246938D+01  0.350350D+01 -0.397193D+01 -0.433468D+01
      2   0.347696D+00  0.630921D+00  0.522898D+00 -0.296466D+00 -0.217266D+01
      3  -0.534067D+01  0.443950D+01  0.643841D+01 -0.280325D+01 -0.807741D+01
               161           162           163           164           165 
      1  -0.471821D+01  0.936329D+01 -0.553534D+00  0.255829D+01  0.196782D+01
      2  -0.625604D+00  0.173520D+01  0.246438D+00  0.373069D+00  0.997284D+00
      3  -0.458357D+01  0.506370D+01 -0.302823D+01  0.285060D+01  0.779972D+00
               166           167           168           169           170 
      1   0.107585D+01 -0.424539D+01 -0.664409D+01  0.739241D+00 -0.273121D+01
      2  -0.385394D+00 -0.149310D+01 -0.199662D+01 -0.127522D+01 -0.702074D+00
      3   0.470605D+01  0.239872D+01  0.374402D+00  0.249344D+01 -0.248900D+01
               171           172           173           174           175 
      1  -0.698560D+01 -0.434467D+01 -0.119756D+01  0.312353D+01 -0.161990D+01
      2  -0.215274D+01 -0.534889D+01 -0.111067D+01  0.527419D+01 -0.182082D+01
      3   0.270510D+00 -0.119097D+02 -0.477727D+01  0.510683D+01 -0.392512D+01
               176           177           178           179           180 
      1  -0.989398D+00  0.658154D+00  0.451928D+01  0.216755D+01 -0.615830D+01
      2  -0.148169D+01  0.225559D+01  0.467273D+01  0.644214D+00 -0.719932D+01
      3  -0.676888D+01  0.299751D+01  0.811518D+01  0.501002D+01 -0.514909D+01
               181           182           183           184           185 
      1   0.178708D+01 -0.106200D+01  0.355520D+01 -0.227211D+01  0.144133D+01
      2   0.730573D+00 -0.111139D+01  0.348116D+01 -0.205937D+01  0.257439D+01
      3  -0.466296D+01 -0.213172D+00 -0.986958D+00  0.105106D+01  0.512572D+01
               186           187           188           189           190 
      1  -0.405476D+01  0.220849D+01 -0.288039D+00  0.556441D+01  0.437159D+01
      2  -0.347717D+01  0.128817D+01 -0.223783D+01  0.515761D+01 -0.270119D+01
      3  -0.781385D+00  0.875002D+00 -0.352291D+01 -0.243015D+00 -0.691421D+01
               191           192           193           194           195 
      1   0.352138D+01  0.319773D+01  0.490581D+01  0.464039D+01  0.226159D+01
      2  -0.114284D+01  0.796367D+00 -0.512650D+01  0.825992D+00 -0.659687D+00
      3  -0.547100D+01 -0.344197D+01 -0.758390D+01 -0.535427D+01 -0.427715D+01
               196           197           198           199           200 
      1   0.166245D+01  0.245853D+01  0.237800D+01  0.104332D+01 -0.148685D+01
      2   0.654919D+00  0.952747D+00  0.682512D+00 -0.265361D+01  0.378071D+01
      3  -0.123342D+01 -0.916614D+00 -0.281225D+01 -0.283596D+01  0.275164D+01
               201           202           203           204           205 
      1  -0.864115D+00  0.201448D+00 -0.193375D+00 -0.876833D+00 -0.111527D+00
      2  -0.656203D+01  0.201237D+01  0.135591D+01 -0.247131D+01 -0.152704D+01
      3  -0.326211D+01  0.198756D+01  0.928115D+00 -0.142991D+01 -0.714665D-01
               206           207           208           209           210 
      1   0.138430D+01  0.407532D+01 -0.239103D+01  0.277966D+01 -0.194181D+01
      2  -0.264214D+01  0.111859D+02 -0.781668D+01 -0.471333D+01 -0.341712D+01
      3  -0.222672D+01  0.230678D+01  0.114456D+02  0.499833D+01  0.601383D+01
               211           212           213           214           215 
      1   0.172461D+00 -0.109942D+01 -0.173258D+01 -0.254741D+01 -0.144120D+00
      2  -0.172027D+01 -0.258700D+00 -0.898525D+00 -0.236161D+01 -0.119095D+00
      3   0.300990D+01  0.850531D+00  0.869416D+00  0.194341D+01  0.683344D+00
               216           217           218           219           220 
      1  -0.184627D+01 -0.234235D+01  0.537337D+00  0.528772D+01 -0.432617D+00
      2  -0.179556D+01  0.179994D+01 -0.147463D+01 -0.156808D+01  0.774640D+00
      3   0.284959D+01 -0.222941D+01  0.924001D+00  0.296487D+01  0.672308D-01
               221           222           223           224           225 
      1   0.289053D+01  0.364241D+01  0.210998D+01  0.287826D+00 -0.114645D+02
      2  -0.292791D+01 -0.168223D+01 -0.245329D+01  0.744174D+00  0.172222D+01
      3   0.403700D+01  0.205957D+01  0.212875D+01 -0.113935D+01 -0.247203D+01
               226           227           228           229           230 
      1   0.151980D+01 -0.141172D+01  0.127317D+01  0.283941D+01 -0.996288D+01
      2   0.186286D+01  0.283814D+00  0.180711D+01  0.294345D+01  0.333260D+00
      3  -0.691076D-01  0.968893D+00 -0.865933D+00  0.325176D+00  0.121758D+02
               231           232           233           234           235 
      1   0.397817D+00  0.303660D+01 -0.271731D+01  0.375826D+00 -0.271885D+01
      2  -0.840299D+00  0.162114D+01 -0.197062D+01  0.741083D+00 -0.249699D+00
      3  -0.194389D+01 -0.876532D+00  0.265533D+01  0.796346D-02  0.186266D+01
               236           237           238           239           240 
      1   0.105320D+01 -0.248989D+01  0.116613D+01  0.302599D+00  0.190365D+01
      2   0.183460D+01 -0.325441D+01  0.688877D+00  0.121532D+01  0.134431D+01
      3  -0.949471D+00 -0.843530D-01  0.294833D+00  0.159841D+00 -0.170257D+01
               241           242           243           244           245 
      1   0.152587D+01  0.604764D+00  0.666774D+01 -0.240784D+01 -0.275299D+01
      2  -0.110207D+01 -0.257119D+01  0.138435D+02  0.782969D+01 -0.470120D+01
      3  -0.198193D+01 -0.136745D+01  0.142171D+01 -0.114755D+02  0.496495D+01
               246           247           248           249           250 
      1   0.197460D+01 -0.166538D+00 -0.111312D+01 -0.173084D+01  0.255912D+01
      2  -0.341243D+01 -0.169477D+01  0.224609D+00  0.881008D+00 -0.235557D+01
      3   0.601823D+01  0.297608D+01 -0.821169D+00 -0.850965D+00  0.195116D+01
               251           252           253           254           255 
      1  -0.133608D+00 -0.185777D+01 -0.234313D+01 -0.556778D+00 -0.530739D+01
      2   0.119977D+00  0.179275D+01 -0.180851D+01 -0.149462D+01 -0.159395D+01
      3  -0.691747D+00 -0.286006D+01  0.223319D+01  0.950035D+00  0.298024D+01
               256           257           258           259           260 
      1   0.409079D+00  0.285625D+01  0.360031D+01 -0.211335D+01  0.265887D+00
      2   0.759254D+00  0.293732D+01  0.168496D+01 -0.246410D+01 -0.758137D+00
      3   0.847627D-01 -0.403058D+01 -0.204846D+01  0.213349D+01  0.115594D+01
               261           262           263           264           265 
      1  -0.114577D+02  0.439240D+01 -0.352335D+01 -0.318783D+01 -0.487870D+01
      2  -0.176601D+01  0.274903D+01 -0.115430D+01  0.787260D+00 -0.515028D+01
      3   0.248595D+01  0.697821D+01 -0.549230D+01 -0.344336D+01 -0.759169D+01
               266           267           268           269           270 
      1   0.463567D+01  0.222221D+01 -0.164869D+01  0.244114D+01  0.234819D+01
      2  -0.806735D+00  0.668222D+00  0.672646D+00 -0.939940D+00 -0.671720D+00
      3   0.536129D+01  0.423604D+01 -0.120804D+01  0.895907D+00  0.278777D+01
               271           272           273           274           275 
      1   0.101106D+01  0.146101D+01  0.890124D+00 -0.210502D+00 -0.182774D+00
      2   0.265994D+01  0.379256D+01 -0.655834D+01  0.202861D+01 -0.132302D+01
      3   0.282349D+01  0.274862D+01 -0.324786D+01  0.199739D+01 -0.897668D+00
               276           277           278           279           280 
      1  -0.874368D+00  0.110322D+00  0.138684D+01  0.412810D+01  0.879081D+00
      2   0.242427D+01 -0.150916D+01  0.263337D+01 -0.112116D+02  0.369257D+01
      3   0.141328D+01 -0.651963D-01  0.222940D+01 -0.229167D+01 -0.281972D+01
               281           282           283           284           285 
      1   0.663916D-01  0.202926D+00  0.134801D+01  0.522317D+01  0.562996D+00
      2  -0.658323D+00  0.221133D+00 -0.724569D+00  0.600553D+01  0.790931D+01
      3  -0.914588D+00 -0.406806D+00 -0.144315D+01 -0.161388D+02 -0.733510D+01
               286           287           288           289           290 
      1   0.398341D-01  0.278988D+01  0.115745D+01 -0.147608D+01  0.153763D+01
      2  -0.283481D+00  0.542124D+01  0.630982D+01 -0.325231D+00 -0.494618D+00
      3  -0.886345D+00 -0.564028D+01 -0.588181D+01  0.528471D+01 -0.645813D+01
               291           292           293           294           295 
      1  -0.176949D+00  0.164834D+01 -0.146677D+01 -0.113333D+00 -0.880591D-01
      2   0.588303D+01  0.358459D+01  0.124864D+01 -0.152610D+01  0.229473D+01
      3   0.229263D+01 -0.354853D+01  0.486572D+01 -0.335110D+01 -0.451797D-01
               296           297           298           299           300 
      1   0.132517D+01  0.885577D-01 -0.146385D+01 -0.152980D+01  0.148384D+00
      2  -0.150249D+01  0.263162D+01  0.305483D+00 -0.488362D+00  0.587424D+01
      3  -0.298839D+01  0.111486D+01 -0.526320D+01 -0.646578D+01  0.227033D+01
               301           302           303           304           305 
      1  -0.166949D+01 -0.147546D+01 -0.123914D+00  0.777901D-01  0.131464D+01
      2   0.359678D+01 -0.123714D+01  0.155829D+01  0.228610D+01  0.151477D+01
      3  -0.358075D+01 -0.493014D+01  0.335972D+01 -0.590726D-01  0.298404D+01
               306           307           308           309           310 
      1   0.965818D-01  0.904227D+00 -0.835030D-01 -0.208942D+00 -0.136457D+01
      2  -0.260516D+01 -0.370872D+01 -0.637823D+00  0.271599D+00 -0.709137D+00
      3  -0.111456D+01  0.285383D+01 -0.982235D+00 -0.456458D+00 -0.152400D+01
               311           312           313           314           315 
      1   0.522540D+01  0.579856D+00 -0.595673D-01  0.280377D+01  0.117260D+01
      2  -0.598619D+01 -0.790846D+01 -0.250966D+00 -0.540521D+01 -0.630374D+01
      3   0.161401D+02  0.733172D+01 -0.929035D+00  0.563960D+01  0.588185D+01
               316           317           318           319           320 
      1  -0.271160D+01 -0.106778D+01  0.248861D+01 -0.118908D+01  0.306097D+00
      2   0.236821D+00  0.182105D+01 -0.322657D+01  0.686165D+00 -0.120361D+01
      3  -0.187473D+01 -0.964181D+00 -0.725432D-01  0.272359D+00 -0.153045D+00
               321           322           323           324           325 
      1   0.193480D+01 -0.153242D+01  0.592049D+00  0.672750D+01  0.154929D+01
      2  -0.137879D+01 -0.110367D+01  0.255008D+01 -0.138269D+02 -0.187523D+01
      3   0.170772D+01 -0.199158D+01  0.135080D+01 -0.139280D+01  0.983900D-01
               326           327           328           329           330 
      1   0.145890D+01 -0.128389D+01 -0.282059D+01 -0.996677D+01  0.411089D+00
      2   0.286195D+00  0.179990D+01  0.293180D+01 -0.377541D+00  0.851420D+00
      3   0.102715D+01 -0.889821D+00  0.346171D+00 -0.121819D+02  0.197121D+01
               331           332           333 
      1  -0.302550D+01 -0.271589D+01  0.376275D+00
      2   0.159613D+01  0.196522D+01 -0.744871D+00
      3  -0.885964D+00 -0.264017D+01 -0.614526D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.205643D+02  0.239192D+02 -0.197364D+02  0.292471D+02 -0.320570D+01
      2   0.129269D+02 -0.136298D+02  0.981445D+01 -0.173307D+02  0.307171D+01
      3   0.763740D+01 -0.102894D+02  0.992192D+01 -0.119163D+02  0.133991D+00
      4   0.222077D+02 -0.712334D+01  0.409416D+01 -0.948243D+01 -0.116507D+02
      5  -0.200134D+02  0.535675D+01 -0.817070D+01  0.989768D+01 -0.184752D+02
      6   0.667990D+01 -0.112299D+01 -0.398109D+00 -0.489481D+01 -0.502531D+01
                 6             7             8             9            10 
      1   0.750327D+01 -0.160838D+02  0.533380D+01 -0.390292D+01 -0.201659D+02
      2  -0.468239D+01  0.784116D+01 -0.335673D+01  0.426790D+00  0.125899D+02
      3  -0.282088D+01  0.824266D+01 -0.197707D+01  0.347613D+01  0.757602D+01
      4  -0.160403D+02  0.484388D+01 -0.131169D+02 -0.371238D+01 -0.222913D+02
      5  -0.536726D+01 -0.793827D+01 -0.367470D+01  0.449746D+01  0.198590D+02
      6  -0.663692D+01  0.734996D+00 -0.553036D+01 -0.154981D+01  0.669942D+01
                11            12            13            14            15 
      1  -0.239345D+02  0.196561D+02 -0.292903D+02 -0.361547D+01  0.737128D+01
      2   0.135927D+02 -0.973080D+01  0.173107D+02  0.331745D+01 -0.456669D+01
      3   0.103418D+02 -0.992525D+01  0.119796D+02  0.298018D+00 -0.280459D+01
      4  -0.746360D+01  0.407000D+01 -0.988455D+01  0.115653D+02  0.161116D+02
      5   0.526204D+01 -0.809971D+01  0.979665D+01  0.185628D+02  0.538097D+01
      6   0.119474D+01  0.429186D+00  0.498943D+01 -0.491967D+01 -0.659169D+01
                16            17            18            19            20 
      1   0.159731D+02  0.520268D+01 -0.383141D+01  0.158179D+02  0.131514D+02
      2  -0.774389D+01 -0.324418D+01  0.409983D+00 -0.165356D+02 -0.934174D+01
      3  -0.822922D+01 -0.195850D+01  0.342143D+01  0.717686D+00 -0.380968D+01
      4   0.480613D+01  0.131767D+02  0.372071D+01  0.573986D+01  0.543085D+00
      5  -0.786461D+01  0.369678D+01 -0.453300D+01 -0.114903D+02 -0.330399D+01
      6  -0.707452D+00 -0.551435D+01 -0.155755D+01 -0.797578D+01  0.988295D+00
                21            22            23            24            25 
      1  -0.119101D+02  0.668499D+01  0.203909D+01  0.133390D+01 -0.587432D+01
      2   0.115380D+02 -0.501234D+01 -0.814143D+01  0.949578D+00  0.630456D+01
      3   0.372045D+00 -0.167264D+01  0.610234D+01 -0.228347D+01 -0.430238D+00
      4  -0.122485D+01 -0.193524D-02 -0.117313D+02 -0.173878D+01 -0.146760D+01
      5   0.907982D+01 -0.227135D+01 -0.279082D+01  0.155245D+01  0.611548D+01
      6   0.171924D+01 -0.808136D-01  0.484751D+01  0.418056D+01  0.514581D+00
                26            27            28            29            30 
      1  -0.586224D+00  0.101408D+02 -0.133941D+02 -0.195246D-02  0.244213D-01
      2  -0.136171D+00  0.375782D+01  0.324955D+01 -0.395135D-03 -0.279172D-01
      3   0.722394D+00 -0.138986D+02  0.101445D+02  0.234759D-02  0.349596D-02
      4   0.157440D+00 -0.132214D+01  0.410590D-02 -0.776883D+01 -0.532385D+01
      5  -0.203765D+00  0.644328D+01  0.179731D-01 -0.316583D+01 -0.383901D+01
      6   0.376936D+01  0.219027D+01 -0.277628D+01 -0.100711D-01  0.676352D-02
                31            32            33            34            35 
      1  -0.449839D-02  0.351975D+01 -0.587051D+01  0.169392D-01 -0.831817D+01
      2   0.280568D-02 -0.124679D+02  0.697250D+01 -0.243083D-01  0.907341D+01
      3   0.169271D-02  0.894818D+01 -0.110199D+01  0.736913D-02 -0.755232D+00
      4  -0.887257D+01  0.714894D-02 -0.272279D-01 -0.818290D+01 -0.193669D-01
      5  -0.319211D+01 -0.741114D-02 -0.278921D-02  0.355685D+01 -0.588787D-02
      6  -0.101109D-01  0.371640D+01 -0.398057D+01  0.716398D-02  0.257203D+01
                36            37            38            39            40 
      1   0.102026D+01 -0.601759D+01  0.106067D+01  0.101532D+02  0.653821D+00
      2   0.126157D+01  0.100024D+02 -0.353736D+01 -0.729573D+01  0.287826D+00
      3  -0.228183D+01 -0.398485D+01  0.247669D+01 -0.285744D+01 -0.941647D+00
      4  -0.587990D-02  0.108139D+02  0.671332D+01 -0.862444D+01  0.104445D+02
      5   0.121873D-01  0.233877D+01 -0.118049D+02  0.365156D+01 -0.110534D+02
      6  -0.756381D+00 -0.405955D+01 -0.544238D+01  0.680546D+01 -0.450885D+01
                41            42            43            44            45 
      1  -0.715321D+01 -0.496448D+01  0.930401D+01 -0.536820D+01  0.568898D+01
      2   0.545350D+01 -0.441067D+01 -0.498383D+01 -0.844258D+00  0.160189D+01
      3   0.169972D+01  0.937516D+01 -0.432018D+01  0.621246D+01 -0.729087D+01
      4   0.838122D+01 -0.986863D+01 -0.353841D+01 -0.688217D+01  0.280063D+01
      5  -0.499178D+01  0.379167D+01  0.268330D+01  0.118587D+01  0.758915D+00
      6  -0.355677D+01  0.221209D+01  0.430509D+01  0.480094D+00  0.585151D+01
                46            47            48            49            50 
      1  -0.833352D+01  0.140496D+01 -0.138539D+02  0.145958D+01 -0.536828D+00
      2   0.228892D+01 -0.229519D+01  0.174944D+02 -0.515550D+01 -0.258332D+00
      3   0.604460D+01  0.890235D+00 -0.364043D+01  0.369592D+01  0.795161D+00
      4  -0.125522D+02 -0.893688D+01  0.783695D+01 -0.128984D+02 -0.970806D+01
      5  -0.356258D+01  0.132552D+02 -0.919331D+01  0.133597D+02  0.120652D+02
      6   0.112967D+01  0.149267D+02 -0.964129D+01  0.151082D+02  0.122229D+02
                51            52            53            54            55 
      1   0.622111D+01 -0.167161D+02  0.727358D+01 -0.902837D+01  0.275213D+01
      2   0.641024D+01  0.195596D+02  0.383282D+01  0.482298D+01 -0.278600D+01
      3  -0.126313D+02 -0.284350D+01 -0.111064D+02  0.420538D+01  0.338766D-01
      4   0.198314D+02  0.113255D+02  0.231490D+02 -0.113305D+02  0.345283D+01
      5  -0.212868D+01 -0.140364D+02 -0.467349D+01  0.164409D+01  0.143077D+01
      6  -0.535355D+01 -0.123521D+02 -0.564840D+01  0.233062D+01  0.599294D+01
                56            57            58            59            60 
      1   0.413251D+01  0.111341D+02  0.224998D+01  0.160257D+02  0.322759D+01
      2  -0.618772D+01 -0.198967D+02 -0.109413D+01 -0.239987D+02 -0.134518D+02
      3   0.205522D+01  0.876260D+01 -0.115584D+01  0.797301D+01  0.102242D+02
      4  -0.701284D+01  0.134616D+01 -0.369581D+01 -0.103716D+02 -0.197831D+02
      5  -0.350844D+01 -0.107189D+01 -0.354540D+01 -0.869602D+01 -0.408745D+01
      6  -0.176874D+02  0.348269D+01 -0.172887D+02 -0.190992D+02 -0.119891D+02
                61            62            63            64            65 
      1   0.138501D+02  0.794983D+01  0.106861D+02  0.298396D+01 -0.524030D+01
      2  -0.216272D+02 -0.175136D+02 -0.144095D+02 -0.220303D+01  0.469524D+01
      3   0.777709D+01  0.956375D+01  0.372344D+01 -0.780927D+00  0.545061D+00
      4   0.246353D+01 -0.234210D+02  0.135979D+01  0.718573D+01  0.197061D+01
      5  -0.510171D+00 -0.352754D+01 -0.113841D+01  0.277446D+01 -0.284693D+01
      6   0.406419D+01 -0.180935D+02 -0.101284D+01 -0.660744D+01  0.801665D+01
                66            67            68            69            70 
      1  -0.112661D+01 -0.469462D+01 -0.110899D+02 -0.533564D+01 -0.255012D+01
      2   0.106182D+02  0.912878D+00  0.128012D+02  0.789582D+01  0.101583D+02
      3  -0.949160D+01  0.378174D+01 -0.171128D+01 -0.256018D+01 -0.760817D+01
      4  -0.253156D+01 -0.129577D+01  0.143010D+02  0.119138D+02 -0.302258D+01
      5  -0.243162D+01 -0.202561D+01  0.157117D+01  0.286403D+01 -0.142126D+01
      6   0.505715D-01  0.918791D+01  0.125695D+02  0.741111D+01 -0.164397D+01
                71            72            73            74            75 
      1  -0.282281D+01  0.413862D+00  0.159279D+02 -0.131106D+02  0.118755D+02
      2   0.222312D+01  0.582637D+01 -0.166031D+02  0.932778D+01 -0.115447D+02
      3   0.599690D+00 -0.624023D+01  0.675191D+00  0.378284D+01 -0.330799D+00
      4   0.692251D+01 -0.109679D+01 -0.560658D+01  0.372158D+00 -0.115252D+01
      5   0.156139D+01 -0.510963D+01  0.115291D+02 -0.329003D+01  0.912079D+01
      6   0.402559D+01 -0.375499D+01 -0.792369D+01 -0.104760D+01 -0.172156D+01
                76            77            78            79            80 
      1  -0.662176D+01  0.184598D+01  0.134110D+01  0.588179D+01 -0.601843D+00
      2   0.497196D+01 -0.799575D+01  0.872970D+00 -0.632275D+01 -0.192183D+00
      3   0.164980D+01  0.614977D+01 -0.221407D+01  0.440957D+00  0.794026D+00
      4  -0.124463D+00  0.117704D+02  0.175262D+01 -0.142965D+01 -0.144443D+00
      5  -0.224629D+01  0.276794D+01 -0.150112D+01  0.613553D+01  0.239009D+00
      6   0.223201D-01  0.482337D+01  0.416980D+01 -0.515514D+00  0.375675D+01
                81            82            83            84            85 
      1   0.101852D+02 -0.588532D+01 -0.104064D+01 -0.101174D+02 -0.662982D+00
      2   0.372864D+01  0.990199D+01  0.358803D+01  0.730529D+01 -0.192905D+00
      3  -0.139138D+02 -0.401666D+01 -0.254739D+01  0.281216D+01  0.855887D+00
      4   0.136656D+01 -0.109248D+02  0.673079D+01 -0.874032D+01  0.104450D+02
      5  -0.641987D+01 -0.226336D+01 -0.118676D+02  0.363796D+01 -0.111057D+02
      6   0.221938D+01 -0.409722D+01  0.545076D+01 -0.683090D+01  0.450008D+01
                86            87            88            89            90 
      1  -0.709446D+01 -0.509984D+01 -0.930743D+01 -0.548772D+01  0.565136D+01
      2   0.544521D+01 -0.430193D+01  0.500781D+01 -0.746989D+00  0.155036D+01
      3   0.164926D+01  0.940177D+01  0.429961D+01  0.623471D+01 -0.720171D+01
      4  -0.841049D+01  0.985193D+01 -0.362889D+01  0.686256D+01 -0.278897D+01
      5   0.491236D+01 -0.381748D+01  0.264655D+01 -0.120885D+01 -0.759542D+00
      6  -0.351527D+01  0.214087D+01 -0.432713D+01  0.443314D+00  0.583011D+01
                91            92            93            94            95 
      1  -0.846022D+01 -0.143531D+01  0.137695D+02 -0.143819D+01 -0.646661D+00
      2   0.237307D+01  0.232335D+01 -0.174942D+02  0.511989D+01 -0.190053D+00
      3   0.608715D+01 -0.888039D+00  0.372479D+01 -0.368170D+01  0.836714D+00
      4   0.125954D+02 -0.897567D+01  0.806730D+01 -0.129267D+02  0.971239D+01
      5   0.344917D+01  0.133976D+02 -0.918412D+01  0.134842D+02 -0.119921D+02
      6   0.127306D+01 -0.149510D+02  0.957186D+01 -0.151098D+02  0.120602D+02
                96            97            98            99           100 
      1   0.644952D+01  0.166104D+02  0.754879D+01 -0.906603D+01  0.281940D+01
      2   0.618101D+01 -0.195086D+02  0.355358D+01  0.490763D+01 -0.286903D+01
      3  -0.126305D+02  0.289820D+01 -0.111024D+02  0.415840D+01  0.496262D-01
      4  -0.198055D+02  0.115781D+02 -0.230905D+02  0.111951D+02 -0.338790D+01
      5   0.209978D+01 -0.140348D+02  0.459795D+01 -0.165842D+01 -0.142418D+01
      6  -0.527088D+01  0.122496D+02 -0.554232D+01  0.232848D+01  0.583007D+01
               101           102           103           104           105 
      1  -0.408459D+01 -0.111734D+02 -0.219980D+01  0.158649D+02  0.297726D+01
      2   0.612170D+01  0.199949D+02  0.100973D+01 -0.237435D+02 -0.130963D+02
      3  -0.203711D+01 -0.882150D+01  0.119006D+01  0.787869D+01  0.101190D+02
      4  -0.714791D+01  0.111870D+01 -0.376257D+01  0.103404D+02  0.198528D+02
      5  -0.363365D+01 -0.110394D+01 -0.365951D+01  0.873445D+01  0.415506D+01
      6   0.178139D+02 -0.334235D+01  0.173860D+02 -0.188320D+02 -0.120359D+02
               106           107           108           109           110 
      1  -0.139024D+02  0.769110D+01  0.107053D+02  0.297292D+01  0.527145D+01
      2   0.217304D+02 -0.171707D+02 -0.144762D+02 -0.223179D+01 -0.469965D+01
      3  -0.782801D+01  0.947961D+01  0.377092D+01 -0.741134D+00 -0.571800D+00
      4   0.218782D+01  0.235552D+02 -0.115944D+01 -0.715428D+01  0.203300D+01
      5  -0.531191D+00  0.364608D+01  0.116681D+01 -0.275137D+01 -0.281092D+01
      6  -0.388988D+01 -0.181898D+02 -0.108800D+01 -0.652833D+01 -0.810296D+01
               111           112           113           114           115 
      1   0.115700D+01  0.475201D+01 -0.108995D+02 -0.523734D+01  0.258306D+01
      2  -0.106559D+02 -0.957690D+00  0.125856D+02  0.771948D+01 -0.101808D+02
      3   0.949892D+01 -0.379432D+01 -0.168611D+01 -0.248213D+01  0.759778D+01
      4  -0.241679D+01 -0.125306D+01 -0.143611D+02 -0.119595D+02 -0.292835D+01
      5  -0.240008D+01 -0.199422D+01 -0.162404D+01 -0.290576D+01 -0.140344D+01
      6  -0.113162D+00 -0.925880D+01  0.124823D+02  0.743302D+01  0.159269D+01
               116           117           118           119           120 
      1  -0.277595D+01  0.396825D+00  0.323101D+02 -0.259820D+01  0.106320D+02
      2   0.211214D+01  0.588672D+01 -0.184223D+02  0.538031D+01 -0.750880D+01
      3   0.663810D+00 -0.628355D+01 -0.138878D+02 -0.278210D+01 -0.312322D+01
      4  -0.696762D+01  0.103710D+01  0.161992D+02  0.753368D+01  0.338383D+01
      5  -0.159123D+01  0.511346D+01  0.108136D+02 -0.179892D+01  0.943070D+01
      6   0.407467D+01 -0.370333D+01  0.525776D+01 -0.643820D+00  0.523418D+01
               121           122           123           124           125 
      1  -0.813957D+01  0.653369D+01 -0.417580D+01  0.167984D+02 -0.330032D+01
      2   0.739728D+01 -0.572495D+01  0.289427D+01 -0.124419D+02  0.494383D+01
      3   0.742291D+00 -0.808743D+00  0.128153D+01 -0.435642D+01 -0.164351D+01
      4   0.390821D+01 -0.232327D+00  0.394874D+00  0.720020D+01  0.244906D+01
      5  -0.325819D+01  0.258881D+01 -0.231448D+01  0.134854D+02  0.159598D-01
      6  -0.155321D+01  0.747405D+00  0.353823D+00  0.787555D+01  0.194559D+01
               126           127           128           129           130 
      1   0.943891D+01  0.146418D+02  0.689250D+01 -0.385775D+01  0.224494D+01
      2  -0.793533D+01 -0.242623D+00  0.433013D+01 -0.585093D+00  0.101901D+02
      3  -0.150358D+01 -0.143992D+02 -0.112226D+02  0.444284D+01 -0.124351D+02
      4   0.567443D+01  0.284897D+02  0.228505D+02 -0.121427D+02  0.243230D+02
      5   0.128889D+02 -0.112781D+02 -0.903078D+01  0.987283D+01 -0.841563D+01
      6   0.812543D+01 -0.108348D+02 -0.911090D+01  0.818056D+01 -0.112537D+02
               131           132           133           134           135 
      1  -0.639041D+01  0.159329D+01 -0.227550D+01  0.170321D+01 -0.379340D-01
      2   0.234964D+02 -0.727906D+01 -0.260529D+01 -0.761761D+01  0.189845D+01
      3  -0.171060D+02  0.568577D+01  0.488079D+01  0.591440D+01 -0.186051D+01
      4   0.317126D+02 -0.138382D+02 -0.178661D+02 -0.186383D+02  0.168132D+02
      5  -0.111184D+02  0.766505D+01  0.147463D+02  0.119565D+02 -0.152577D+02
      6  -0.168033D+02  0.122626D+02  0.141621D+02  0.164669D+02 -0.177525D+02
               136           137           138           139           140 
      1  -0.561312D+01  0.824805D+01 -0.389506D+01  0.469989D+01 -0.160526D+02
      2   0.853619D+01 -0.147635D+02  0.629534D+01 -0.788486D+01  0.268313D+02
      3  -0.292308D+01  0.651540D+01 -0.240029D+01  0.318497D+01 -0.107787D+02
      4  -0.151808D+02  0.853481D+01 -0.636432D+01  0.645453D+01 -0.483963D+01
      5   0.148458D+01 -0.434959D+00  0.158815D+01 -0.453425D+00  0.824852D+00
      6  -0.782558D+01  0.667511D+01 -0.742897D+01  0.445919D+01 -0.741097D+01
               141           142           143           144           145 
      1   0.465799D+01 -0.638577D+01  0.938757D+01 -0.880805D+01 -0.178896D+01
      2  -0.650439D+01  0.691358D+01 -0.133846D+02  0.974770D+01  0.808920D+01
      3   0.184640D+01 -0.527810D+00  0.399703D+01 -0.939648D+00 -0.630024D+01
      4   0.367804D+01 -0.860292D+01  0.574772D+01 -0.504338D+01  0.119593D+02
      5   0.372952D+00  0.179818D+01  0.617621D+00 -0.237008D+00  0.332381D+01
      6   0.822143D+01 -0.711170D+01  0.143173D+02 -0.159953D+02  0.548375D+01
               146           147           148           149           150 
      1  -0.237680D+01 -0.166320D+01 -0.379560D+01 -0.316196D+02 -0.109067D+02
      2   0.107303D+02  0.442761D+01  0.107097D+02  0.586501D+02  0.179039D+02
      3  -0.835353D+01 -0.276441D+01 -0.691408D+01 -0.270304D+02 -0.699721D+01
      4   0.182305D+02  0.623816D+01  0.130606D+02  0.247812D+02  0.907422D+01
      5   0.515318D+01  0.445789D+01  0.311548D+01  0.860542D+01  0.489513D+01
      6   0.765702D+01  0.439100D+01  0.701984D+01  0.258427D+02  0.164991D+02
               151           152           153           154           155 
      1  -0.297261D+01 -0.166798D+02 -0.125104D+02 -0.569621D+01 -0.830356D+01
      2   0.578656D+01  0.249475D+02  0.151378D+02  0.860495D+01  0.148208D+02
      3  -0.281395D+01 -0.826763D+01 -0.262743D+01 -0.290875D+01 -0.651724D+01
      4   0.667787D+01  0.143188D+02  0.872070D+01  0.150715D+02  0.851516D+01
      5   0.442733D+01  0.787362D+01  0.699313D+01 -0.143292D+01 -0.404909D+00
      6   0.579720D+01  0.256543D+02  0.203378D+02 -0.776124D+01 -0.666579D+01
               156           157           158           159           160 
      1   0.391696D+01 -0.473658D+01 -0.162151D+02  0.471816D+01  0.640787D+01
      2  -0.631827D+01  0.791556D+01  0.271080D+02 -0.660486D+01 -0.693682D+01
      3   0.240131D+01 -0.317898D+01 -0.108929D+02  0.188669D+01  0.528942D+00
      4  -0.629042D+01  0.646013D+01  0.477400D+01 -0.364969D+01 -0.850547D+01
      5   0.155021D+01 -0.436801D+00 -0.794948D+00 -0.401149D+00  0.176399D+01
      6   0.737190D+01 -0.445539D+01 -0.749543D+01  0.825842D+01  0.703532D+01
               161           162           163           164           165 
      1   0.947579D+01 -0.883410D+01 -0.171450D+01  0.235845D+01  0.166766D+01
      2  -0.135143D+02  0.981372D+01  0.806278D+01 -0.107792D+02 -0.446520D+01
      3   0.403848D+01 -0.979620D+00 -0.634829D+01  0.842074D+01  0.279755D+01
      4  -0.569119D+01  0.494971D+01 -0.121380D+02  0.183341D+02  0.632707D+01
      5  -0.673268D+00  0.302396D+00 -0.340219D+01  0.522879D+01  0.452210D+01
      6   0.143514D+02 -0.159505D+02  0.555507D+01 -0.775639D+01 -0.447933D+01
               166           167           168           169           170 
      1   0.379775D+01 -0.312922D+02 -0.108325D+02  0.299174D+01 -0.165767D+02
      2  -0.107655D+02  0.581232D+02  0.178045D+02 -0.583625D+01  0.248117D+02
      3   0.696775D+01 -0.268310D+02 -0.697200D+01  0.284451D+01 -0.823493D+01
      4   0.131546D+02 -0.249385D+02 -0.918160D+01  0.679973D+01 -0.144875D+02
      5   0.317736D+01 -0.868851D+01 -0.495553D+01  0.450579D+01 -0.798738D+01
      6  -0.711259D+01  0.257755D+02  0.164923D+02 -0.592410D+01  0.256587D+02
               171           172           173           174           175 
      1  -0.124723D+02  0.324118D+02  0.268158D+01 -0.106254D+02  0.824066D+01
      2   0.150668D+02 -0.185207D+02 -0.540371D+01  0.751979D+01 -0.744007D+01
      3  -0.259451D+01 -0.138911D+02  0.272213D+01  0.310559D+01 -0.800589D+00
      4  -0.887349D+01 -0.160222D+02  0.749898D+01  0.329508D+01  0.390960D+01
      5  -0.712043D+01 -0.107911D+02 -0.185185D+01  0.941854D+01 -0.330281D+01
      6   0.204230D+02  0.519412D+01  0.661120D+00 -0.517934D+01  0.156740D+01
               176           177           178           179           180 
      1   0.660683D+01 -0.421747D+01 -0.168110D+02 -0.336752D+01  0.946612D+01
      2  -0.580512D+01  0.292078D+01  0.124704D+02  0.498095D+01 -0.797176D+01
      3  -0.801713D+00  0.129669D+01  0.434061D+01 -0.161344D+01 -0.149437D+01
      4   0.354863D+00 -0.407096D+00  0.704582D+01 -0.243726D+01 -0.557219D+01
      5  -0.262142D+01  0.235814D+01  0.134871D+02  0.557352D-01 -0.128852D+02
      6   0.735829D+00  0.334879D+00 -0.780658D+01  0.190303D+01  0.804795D+01
               181           182           183           184           185 
      1   0.149009D+02 -0.698442D+01  0.394022D+01 -0.234360D+01 -0.619400D+01
      2  -0.384874D+00 -0.427503D+01  0.531130D+00 -0.101235D+02  0.232561D+02
      3  -0.145160D+02  0.112595D+02 -0.447135D+01  0.124671D+02 -0.170621D+02
      4  -0.286434D+02  0.228918D+02 -0.121859D+02  0.243858D+02 -0.316908D+02
      5   0.113758D+02 -0.906605D+01  0.991785D+01 -0.845049D+01  0.111027D+02
      6  -0.108691D+02  0.910238D+01 -0.818110D+01  0.112354D+02 -0.166755D+02
               186           187           188           189           190 
      1   0.150079D+01  0.239074D+01  0.156741D+01  0.806971D-01  0.193223D+02
      2  -0.717175D+01  0.250970D+01 -0.746475D+01  0.178788D+01 -0.156935D+02
      3   0.567096D+01 -0.490043D+01  0.589735D+01 -0.186858D+01 -0.362880D+01
      4   0.138132D+02 -0.179120D+02  0.185865D+02 -0.167951D+02  0.151727D+01
      5  -0.766519D+01  0.148121D+02 -0.119454D+02  0.152893D+02  0.145767D+02
      6   0.121912D+02 -0.141418D+02  0.163533D+02 -0.176625D+02  0.792350D+00
               191           192           193           194           195 
      1   0.495266D+01  0.704935D+01  0.745173D+01  0.541162D+01  0.356702D+01
      2  -0.658187D+01 -0.865812D+01 -0.822830D+01 -0.592395D+01 -0.571432D+01
      3   0.162921D+01  0.160876D+01  0.776572D+00  0.512334D+00  0.214729D+01
      4   0.576381D+01  0.175928D+01  0.788695D+00  0.753473D+01  0.281571D+00
      5   0.458155D+01  0.990343D+01  0.105878D+02  0.261827D+01  0.716972D+01
      6   0.137852D+01 -0.326275D+00  0.710036D+00  0.288059D+01  0.166083D+00
               196           197           198           199           200 
      1   0.336278D+01  0.131484D+01  0.189456D+01 -0.281707D+01 -0.214264D+01
      2  -0.663645D+01 -0.205527D+01 -0.750424D+01 -0.131952D+01  0.119586D+01
      3   0.327367D+01  0.740425D+00  0.560967D+01  0.413659D+01  0.946781D+00
      4   0.327606D+01 -0.833693D-01  0.220964D+01  0.609484D+01 -0.292283D+01
      5   0.738080D+01  0.375464D+01  0.826433D+01 -0.237192D+01  0.234886D+01
      6   0.487767D+00  0.130385D+01 -0.556545D+00  0.992382D-01 -0.310437D+01
               201           202           203           204           205 
      1   0.664464D+01 -0.494222D+00 -0.470979D+01  0.600277D+01  0.266328D+01
      2   0.875028D+00 -0.523007D+00  0.201770D+01 -0.976043D+00 -0.142479D+01
      3  -0.751967D+01  0.101723D+01  0.269209D+01 -0.502672D+01 -0.123849D+01
      4   0.614554D+00  0.131142D+01 -0.167874D+01  0.389935D+00 -0.266746D+01
      5  -0.423413D+00  0.535450D+00  0.904169D+00 -0.160110D+01  0.403761D+01
      6   0.544253D+01 -0.664728D+00 -0.582141D+01  0.817954D+01 -0.110824D+00
               206           207           208           209           210 
      1   0.523207D+01 -0.170818D+02 -0.565257D-02 -0.727553D+01 -0.420827D+01
      2  -0.158776D+00 -0.108305D+02 -0.243186D+00  0.918124D+01  0.186777D+01
      3  -0.507329D+01  0.279123D+02  0.248839D+00 -0.190570D+01  0.234050D+01
      4   0.259275D+01  0.581780D+00  0.166967D+02  0.685794D+01  0.745746D+01
      5  -0.202744D+01  0.106774D+02  0.882399D+01  0.512621D+01  0.522333D+01
      6   0.695374D+01 -0.164483D+02  0.891154D+01  0.106691D+02  0.953627D+01
               211           212           213           214           215 
      1  -0.215397D+01 -0.245880D+01 -0.139363D+01 -0.173985D+01 -0.849923D+00
      2   0.294572D+01  0.604148D+01  0.956021D+00 -0.475119D+00 -0.179348D+01
      3  -0.791742D+00 -0.358268D+01  0.437608D+00  0.221497D+01  0.264340D+01
      4   0.743633D+01  0.763715D+01  0.465670D+01  0.424846D+01  0.425892D+01
      5   0.288741D+01  0.291452D+01  0.236235D+01  0.441034D+01  0.209643D+01
      6   0.526669D+01  0.424631D+01  0.479900D+01  0.533642D+01  0.444567D+01
               216           217           218           219           220 
      1  -0.364812D+01 -0.570825D+00  0.313919D+01  0.220796D+01  0.158674D+00
      2  -0.197301D+01 -0.333163D+01 -0.422868D+01  0.577820D+01 -0.126624D+01
      3   0.562113D+01  0.390245D+01  0.108949D+01 -0.798616D+01  0.110757D+01
      4   0.518167D+01 -0.349248D+01  0.405802D+01  0.432786D+01  0.381964D+00
      5   0.352893D+01 -0.479574D+01  0.178724D+01  0.785829D+01  0.524112D+00
      6   0.789647D+01  0.439469D+01 -0.287873D+01 -0.656125D+01 -0.246640D-02
               221           222           223           224           225 
      1   0.305134D+01  0.165055D+01  0.156342D+01 -0.428114D+01 -0.113265D+02
      2  -0.605468D+01  0.194943D+01  0.355842D+01  0.273661D+01 -0.153780D+02
      3   0.300334D+01 -0.359998D+01 -0.512185D+01  0.154453D+01  0.267044D+02
      4   0.185832D+01  0.783109D+00  0.344411D+01 -0.158304D+01 -0.252115D+01
      5  -0.132786D+01  0.731329D+00  0.541620D+01 -0.953004D+00 -0.931364D+01
      6  -0.223378D+01  0.469888D+00 -0.306454D+01  0.587927D+01  0.177820D+02
               226           227           228           229           230 
      1  -0.103802D+01 -0.322889D+00 -0.154362D+01 -0.513570D+01 -0.109321D+02
      2   0.466284D+01 -0.229500D+01  0.194738D+01  0.117154D+01  0.200010D+02
      3  -0.362481D+01  0.261789D+01 -0.403768D+00  0.396416D+01 -0.906894D+01
      4  -0.280661D+01  0.515825D+01  0.436702D+00  0.768147D+01 -0.202653D+02
      5  -0.194392D+01 -0.190683D+00 -0.470990D+00 -0.445322D+01  0.272259D+01
      6   0.593712D+00  0.328155D+00 -0.151931D+00  0.329262D+01 -0.117327D+02
               231           232           233           234           235 
      1   0.157959D+01 -0.557439D+01  0.226867D+01 -0.423226D+01 -0.311644D+01
      2  -0.221714D+00  0.395202D+01  0.646592D+00  0.240526D+01  0.341933D+00
      3  -0.135788D+01  0.162237D+01 -0.291526D+01  0.182701D+01  0.277451D+01
      4   0.378361D+01  0.184580D+01 -0.209569D+01 -0.189826D+01  0.125397D+01
      5  -0.431598D+01 -0.172461D+01 -0.176126D+01 -0.184025D+00 -0.243397D+00
      6   0.502073D+01  0.214217D+00  0.246110D+01 -0.181932D+01  0.153045D+01
               236           237           238           239           240 
      1   0.118019D+01  0.309443D+01  0.400344D+01 -0.342757D+01  0.119720D+01
      2  -0.170990D+01  0.121868D+01 -0.390543D+01  0.666491D+00 -0.328413D+01
      3   0.529707D+00 -0.431311D+01 -0.980132D-01  0.276108D+01  0.208693D+01
      4  -0.658040D+00  0.273601D+00  0.604312D+00 -0.859016D+00  0.222040D+01
      5   0.147424D+01  0.150917D+01  0.205931D+01  0.147676D+01  0.171181D+01
      6  -0.629171D+00  0.175656D+01 -0.124087D-01 -0.192835D+01  0.432267D+01
               241           242           243           244           245 
      1   0.370042D+01  0.350460D+01 -0.195185D+02  0.728221D-01  0.724242D+01
      2  -0.522764D+01  0.604235D+00 -0.152890D+02 -0.315942D+00 -0.916375D+01
      3   0.152722D+01 -0.410884D+01  0.348075D+02  0.243120D+00  0.192134D+01
      4  -0.154635D+01  0.332480D+01 -0.239931D+01 -0.167565D+02  0.688916D+01
      5   0.650063D+01 -0.346004D+01  0.203517D+02 -0.888363D+01  0.514762D+01
      6  -0.127048D+01  0.513056D+01 -0.948770D+01  0.895383D+01 -0.106430D+02
               246           247           248           249           250 
      1   0.417071D+01  0.211388D+01 -0.238062D+01 -0.135256D+01  0.172277D+01
      2  -0.182458D+01 -0.291709D+01  0.594564D+01  0.916561D+00  0.505616D+00
      3  -0.234613D+01  0.803209D+00 -0.356501D+01  0.435996D+00 -0.222838D+01
      4   0.750932D+01  0.741841D+01 -0.762163D+01 -0.464367D+01  0.427998D+01
      5   0.527775D+01  0.288731D+01 -0.289906D+01 -0.235648D+01  0.444472D+01
      6  -0.954662D+01 -0.524358D+01  0.418538D+01  0.477133D+01 -0.534555D+01
               251           252           253           254           255 
      1  -0.827313D+00 -0.362651D+01 -0.581307D+00 -0.318802D+01 -0.224743D+01
      2  -0.181752D+01 -0.200212D+01 -0.333394D+01  0.426710D+01 -0.576044D+01
      3   0.264483D+01  0.562863D+01  0.391525D+01 -0.107908D+01  0.800787D+01
      4  -0.424393D+01 -0.519188D+01  0.350007D+01  0.405878D+01  0.436333D+01
      5  -0.209817D+01 -0.356164D+01  0.479041D+01  0.179877D+01  0.785546D+01
      6   0.444247D+01  0.791129D+01  0.441970D+01  0.292069D+01  0.661732D+01
               256           257           258           259           260 
      1  -0.177657D+00  0.305628D+01  0.163613D+01 -0.157666D+01 -0.431231D+01
      2   0.128193D+01 -0.604596D+01  0.191198D+01 -0.355531D+01  0.272634D+01
      3  -0.110428D+01  0.298968D+01 -0.354811D+01  0.513197D+01  0.158598D+01
      4   0.401185D+00 -0.179959D+01 -0.765260D+00  0.346202D+01  0.158044D+01
      5   0.536796D+00  0.134552D+01 -0.699783D+00  0.541129D+01  0.963718D+00
      6   0.318144D-01 -0.220138D+01  0.505280D+00  0.308277D+01  0.591931D+01
               261           262           263           264           265 
      1  -0.113451D+02  0.194534D+02 -0.497837D+01 -0.706502D+01 -0.745204D+01
      2  -0.153285D+02 -0.157714D+02  0.659953D+01  0.865534D+01  0.820739D+01
      3   0.266736D+02 -0.368196D+01 -0.162116D+01 -0.159031D+01 -0.755353D+00
      4   0.256319D+01 -0.144903D+01  0.576791D+01  0.170883D+01  0.761466D+00
      5   0.927517D+01 -0.146024D+02  0.454343D+01  0.988209D+01  0.105446D+02
      6   0.178542D+02  0.763830D+00 -0.137638D+01  0.354298D+00 -0.688636D+00
               266           267           268           269           270 
      1   0.542958D+01  0.354877D+01 -0.336376D+01  0.130010D+01  0.190971D+01
      2  -0.589979D+01 -0.566233D+01  0.661703D+01 -0.200925D+01 -0.746138D+01
      3   0.470214D+00  0.211356D+01 -0.325327D+01  0.709148D+00  0.555167D+01
      4  -0.749984D+01 -0.227420D+00  0.325773D+01  0.127605D+00 -0.217808D+01
      5  -0.254978D+01 -0.710946D+01  0.734209D+01 -0.372327D+01 -0.819097D+01
      6   0.286735D+01  0.128523D+00 -0.472838D+00  0.127756D+01 -0.566860D+00
               271           272           273           274           275 
      1  -0.276951D+01  0.213419D+01 -0.664053D+01  0.471828D+00 -0.468002D+01
      2  -0.136964D+01 -0.121697D+01 -0.872952D+00  0.524936D+00  0.199794D+01
      3   0.413915D+01 -0.917221D+00  0.751348D+01 -0.996764D+00  0.268209D+01
      4  -0.608239D+01 -0.293296D+01  0.600317D+00  0.128370D+01  0.165235D+01
      5   0.234883D+01  0.235169D+01 -0.408325D+00  0.548013D+00 -0.884668D+00
      6   0.109486D+00  0.310352D+01 -0.543226D+01  0.670194D+00 -0.577266D+01
               276           277           278           279           280 
      1   0.594267D+01 -0.264771D+01  0.520387D+01 -0.170802D+02  0.643972D+01
      2  -0.978032D+00  0.142258D+01 -0.170897D+00 -0.109095D+02 -0.341567D+01
      3  -0.496463D+01  0.122513D+01 -0.503297D+01  0.279897D+02 -0.302404D+01
      4  -0.379501D+00 -0.268344D+01 -0.260898D+01 -0.595306D+00  0.541770D+01
      5   0.157058D+01  0.405079D+01  0.202471D+01 -0.107046D+02  0.812123D+01
      6   0.812698D+01  0.130585D+00  0.693277D+01 -0.164558D+02  0.247611D+01
               281           282           283           284           285 
      1   0.433281D+01  0.677625D+01  0.773644D+01 -0.667555D+00 -0.229826D+01
      2  -0.177132D+01 -0.369823D+01 -0.386178D+01  0.385062D+01 -0.181896D+00
      3  -0.256150D+01 -0.307802D+01 -0.387466D+01 -0.318307D+01  0.248015D+01
      4   0.525363D+01  0.199263D+01  0.116587D+02  0.247817D+02  0.122798D+02
      5   0.271500D+01  0.505511D+01  0.602050D+01  0.130171D+02  0.140395D+02
      6   0.880254D+00  0.767805D+00  0.423342D+01  0.121028D+02  0.820112D+01
               286           287           288           289           290 
      1   0.771578D+01 -0.217518D+01 -0.101695D+01  0.639608D+02 -0.161203D+02
      2  -0.581897D+01 -0.902904D+00 -0.372701D+01 -0.349910D+02  0.777848D+01
      3  -0.189681D+01  0.307808D+01  0.474396D+01 -0.289698D+02  0.834184D+01
      4   0.340457D+01  0.854443D+01  0.922544D+01 -0.213062D+02  0.131428D+02
      5   0.851346D+01  0.967040D+01  0.135718D+02  0.268551D+02 -0.724937D+01
      6   0.218312D+01  0.736899D+01  0.709158D+01 -0.472176D+01  0.300041D+01
               291           292           293           294           295 
      1   0.164378D+02 -0.246811D+02  0.127837D+02 -0.650628D+01  0.147781D+02
      2  -0.105896D+02  0.121019D+02 -0.526575D+01  0.441549D+01 -0.115808D+02
      3  -0.584821D+01  0.125792D+02 -0.751791D+01  0.209078D+01 -0.319731D+01
      4  -0.623677D+01  0.205001D+02 -0.137923D+02  0.899831D+01 -0.591563D+01
      5   0.166383D+02 -0.119098D+02  0.100330D+02 -0.749042D+01  0.209005D+02
      6  -0.195815D+01  0.560795D+01 -0.362852D+01  0.443698D+01 -0.319268D+01
               296           297           298           299           300 
      1  -0.367254D+01  0.117648D+02  0.636965D+02  0.162445D+02 -0.163149D+02
      2   0.330981D+01 -0.957836D+01 -0.347388D+02 -0.779324D+01  0.104772D+02
      3   0.362732D+00 -0.218641D+01 -0.289576D+02 -0.845123D+01  0.583761D+01
      4   0.578875D+01 -0.578261D+01  0.215901D+02  0.132877D+02 -0.627607D+01
      5  -0.610847D+01  0.129716D+02 -0.266570D+02 -0.726708D+01  0.165326D+02
      6   0.373414D+01 -0.284841D+01 -0.476915D+01 -0.302185D+01  0.199022D+01
               301           302           303           304           305 
      1   0.247851D+02  0.128801D+02 -0.648313D+01 -0.146480D+02 -0.366217D+01
      2  -0.120749D+02 -0.524122D+01  0.437235D+01  0.114562D+02  0.329112D+01
      3  -0.127102D+02 -0.763887D+01  0.211078D+01  0.319176D+01  0.371056D+00
      4   0.207182D+02  0.140292D+02 -0.904764D+01 -0.596190D+01 -0.582535D+01
      5  -0.119124D+02 -0.100719D+02  0.752150D+01  0.207842D+02  0.615388D+01
      6  -0.564445D+01 -0.369015D+01  0.445670D+01  0.324451D+01  0.376140D+01
               306           307           308           309           310 
      1   0.116879D+02  0.655888D+01 -0.436261D+01 -0.678217D+01 -0.783592D+01
      2  -0.948492D+01 -0.347662D+01  0.179494D+01  0.371407D+01  0.393359D+01
      3  -0.220302D+01 -0.308227D+01  0.256767D+01  0.306810D+01  0.390233D+01
      4   0.584990D+01 -0.546969D+01  0.534647D+01  0.202860D+01  0.117531D+02
      5  -0.128622D+02 -0.817305D+01  0.276906D+01  0.512832D+01  0.608452D+01
      6  -0.288262D+01  0.247079D+01 -0.921564D+00 -0.799476D+00 -0.426307D+01
               311           312           313           314           315 
      1  -0.455741D+00 -0.218586D+01 -0.774266D+01 -0.209528D+01 -0.920223D+00
      2   0.366237D+01 -0.270929D+00  0.584739D+01 -0.961591D+00 -0.379070D+01
      3  -0.320663D+01  0.245679D+01  0.189527D+01  0.305687D+01  0.471093D+01
      4  -0.247818D+02 -0.122914D+02  0.341715D+01 -0.855565D+01 -0.923011D+01
      5  -0.130421D+02 -0.140649D+02  0.856872D+01 -0.968408D+01 -0.135972D+02
      6   0.120129D+02  0.812873D+01 -0.220088D+01  0.732082D+01  0.703026D+01
               316           317           318           319           320 
      1  -0.307191D+01 -0.118543D+01 -0.308234D+01 -0.402692D+01 -0.344426D+01
      2   0.305193D+00  0.170260D+01 -0.119786D+01  0.392940D+01  0.686414D+00
      3   0.276672D+01 -0.517178D+00  0.428020D+01  0.975264D-01  0.275785D+01
      4  -0.126769D+01 -0.674045D+00  0.273703D+00  0.565591D+00  0.829407D+00
      5   0.214212D+00  0.147553D+01  0.153935D+01  0.208202D+01 -0.145708D+01
      6   0.153840D+01  0.635143D+00 -0.175075D+01  0.311336D-01 -0.190549D+01
               321           322           323           324           325 
      1   0.116575D+01 -0.368881D+01  0.347364D+01 -0.195131D+02 -0.109380D+01
      2  -0.332142D+01  0.523121D+01  0.590469D+00 -0.153144D+02  0.469162D+01
      3   0.215567D+01 -0.154241D+01 -0.406411D+01  0.348276D+02 -0.359782D+01
      4  -0.220509D+01 -0.156452D+01 -0.332085D+01  0.236729D+01  0.274054D+01
      5  -0.176380D+01  0.650997D+01  0.344562D+01 -0.203818D+02  0.195140D+01
      6   0.429574D+01  0.128063D+01  0.512485D+01 -0.949655D+01  0.600014D+00
               326           327           328           329           330 
      1   0.337971D+00  0.153345D+01  0.513428D+01 -0.110844D+02  0.163062D+01
      2   0.224484D+01 -0.194649D+01 -0.119298D+01  0.201439D+02 -0.278939D+00
      3  -0.258281D+01  0.413039D+00 -0.394129D+01 -0.905949D+01 -0.135169D+01
      4   0.507711D+01  0.452458D+00  0.764657D+01  0.202076D+02 -0.380993D+01
      5  -0.180295D+00 -0.476807D+00 -0.444258D+01 -0.273457D+01  0.430676D+01
      6  -0.286034D+00  0.134411D+00 -0.327514D+01 -0.118054D+02  0.506579D+01
               331           332           333 
      1   0.554728D+01  0.228590D+01 -0.424905D+01
      2  -0.394067D+01  0.627855D+00  0.240759D+01
      3  -0.160662D+01 -0.291376D+01  0.184146D+01
      4   0.185971D+01  0.206987D+01  0.188014D+01
      5  -0.171178D+01  0.174987D+01  0.162841D+00
      6  -0.222060D+00  0.248712D+01 -0.183911D+01
 Leave Link  716 at Fri Jul 23 19:07:40 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153259D+03 -0.154817D-02 -0.163560D-02
      2  -0.154817D-02  0.151797D+03  0.655795D-01
      3  -0.163560D-02  0.655795D-01  0.121378D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.119557D+01 -0.542218D-01 -0.795603D-03
      2  -0.194228D-01  0.484905D+01 -0.124606D+01
      3  -0.221354D-01 -0.137769D+01 -0.607751D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.844204D+02 -0.487363D+00  0.201214D-01
      2   0.903075D+02  0.518624D+00  0.128646D-01
      3  -0.588713D+01 -0.312609D-01 -0.329860D-01
      4  -0.505376D+00  0.922821D+02 -0.436752D+01
      5  -0.621191D-01  0.722766D+00 -0.851662D+01
      6  -0.801034D+01 -0.705458D-01 -0.475620D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.366645D+01 -0.370782D+01  0.295598D+01 -0.541467D+01  0.136493D+01
      2  -0.370782D+01  0.989764D+00 -0.471190D+00  0.136493D+01  0.297454D+01
      3   0.295598D+01 -0.471190D+00  0.884781D+00 -0.128597D+01  0.293279D+01
                 6             7             8             9            10 
      1  -0.128597D+01  0.272444D+01 -0.834907D+00  0.109091D+01  0.360734D+01
      2   0.293279D+01 -0.834907D+00  0.220669D+01  0.726316D+00  0.370877D+01
      3   0.660979D+00  0.109091D+01  0.726316D+00 -0.709398D+00 -0.294429D+01
                11            12            13            14            15 
      1   0.370877D+01 -0.294429D+01  0.542419D+01  0.142509D+01 -0.127476D+01
      2   0.103966D+01 -0.458374D+00  0.142509D+01 -0.295673D+01 -0.293727D+01
      3  -0.458374D+00  0.874347D+00 -0.127476D+01 -0.293727D+01 -0.656769D+00
                16            17            18            19            20 
      1  -0.270993D+01 -0.822363D+00  0.108252D+01 -0.881084D+01 -0.481900D+01
      2  -0.822363D+00 -0.221017D+01 -0.722681D+00 -0.481900D+01 -0.181156D+01
      3   0.108252D+01 -0.722681D+00  0.712678D+00  0.515359D+01  0.149777D+01
                21            22            23            24            25 
      1   0.515359D+01 -0.232347D+01 -0.749076D+00  0.472812D+00  0.372881D+01
      2   0.149777D+01 -0.749076D+00  0.142909D+01  0.148677D+01  0.139943D+01
      3  -0.245844D+01  0.472812D+00  0.148677D+01 -0.880809D+00 -0.213758D+01
                26            27            28            29            30 
      1   0.139943D+01 -0.213758D+01  0.149992D+01  0.947302D-02  0.395654D-02
      2   0.209206D+01 -0.112242D+01  0.947302D-02 -0.170683D+01 -0.160628D+01
      3  -0.112242D+01 -0.136854D+01  0.395654D-02 -0.160628D+01  0.150678D+00
                31            32            33            34            35 
      1   0.115755D-01 -0.167192D+01  0.188161D+01  0.983546D-02 -0.102611D+00
      2  -0.167192D+01 -0.512503D-02  0.237686D-02 -0.102611D+00  0.165907D-01
      3   0.188161D+01  0.237686D-02  0.336304D-02  0.136154D+00  0.354205D-02
                36            37            38            39            40 
      1   0.136154D+00  0.547677D+01  0.386932D+01 -0.214951D+01  0.599662D+01
      2   0.354205D-02  0.386932D+01  0.163744D+01 -0.315322D+01  0.318140D+01
      3   0.291818D-02 -0.214951D+01 -0.315322D+01  0.220906D+01 -0.376160D+01
                41            42            43            44            45 
      1   0.318140D+01 -0.376160D+01 -0.203083D+01 -0.224701D+01  0.263681D+01
      2   0.294043D+01 -0.261614D+01 -0.224701D+01 -0.176974D+01  0.559555D-01
      3  -0.261614D+01  0.752329D+00  0.263681D+01  0.559555D-01  0.317349D+00
                46            47            48            49            50 
      1  -0.275296D+01 -0.986572D+00 -0.451597D+00 -0.172169D+01 -0.167439D+01
      2  -0.986572D+00 -0.102354D+01  0.312821D+01 -0.167439D+01 -0.117680D+01
      3  -0.451597D+00  0.312821D+01 -0.189610D+01  0.303631D+01  0.237304D+01
                51            52            53            54            55 
      1   0.303631D+01 -0.170155D+00  0.427909D+01 -0.289789D+01  0.534425D+00
      2   0.237304D+01  0.427909D+01  0.289613D+01 -0.822737D+00 -0.650338D+00
      3  -0.254319D+00 -0.289789D+01 -0.822737D+00  0.262234D+00  0.118001D+01
                56            57            58            59            60 
      1  -0.650338D+00  0.118001D+01 -0.465448D+00 -0.318263D+00 -0.276197D+01
      2  -0.139197D+01 -0.266626D+01 -0.318263D+00 -0.451535D+01 -0.299007D+01
      3  -0.266626D+01  0.847511D+00 -0.276197D+01 -0.299007D+01 -0.154542D+01
                61            62            63            64            65 
      1   0.168352D+01 -0.341838D+01  0.856006D+00  0.119794D+01  0.112422D+00
      2  -0.341838D+01 -0.453161D+01 -0.270880D+01  0.112422D+00  0.310802D+01
      3   0.856006D+00 -0.270880D+01 -0.804725D-01 -0.654754D+00  0.213424D+01
                66            67            68            69            70 
      1  -0.654754D+00 -0.112523D+00  0.561027D+00  0.161501D+01 -0.266011D+00
      2   0.213424D+01  0.561027D+00  0.111416D+02  0.506319D+01  0.106514D+01
      3  -0.553927D+00  0.161501D+01  0.506319D+01  0.198262D+01 -0.128689D+01
                71            72            73            74            75 
      1   0.106514D+01 -0.128689D+01 -0.884192D+01  0.479697D+01 -0.515591D+01
      2   0.378939D+01  0.210576D+01  0.479697D+01 -0.177164D+01  0.149141D+01
      3   0.210576D+01 -0.424079D+00 -0.515591D+01  0.149141D+01 -0.247195D+01
                76            77            78            79            80 
      1   0.229336D+01 -0.715609D+00  0.461483D+00 -0.373961D+01  0.140147D+01
      2  -0.715609D+00 -0.143923D+01 -0.148707D+01  0.140147D+01 -0.209412D+01
      3   0.461483D+00 -0.148707D+01  0.861799D+00 -0.215015D+01  0.110772D+01
                81            82            83            84            85 
      1  -0.215015D+01  0.551456D+01 -0.386098D+01  0.216257D+01 -0.599352D+01
      2   0.110772D+01 -0.386098D+01  0.163183D+01 -0.316532D+01  0.316434D+01
      3   0.136706D+01  0.216257D+01 -0.316532D+01  0.220532D+01 -0.377496D+01
                86            87            88            89            90 
      1   0.316434D+01 -0.377496D+01  0.203080D+01 -0.225342D+01  0.263002D+01
      2  -0.292824D+01  0.258845D+01 -0.225342D+01  0.174863D+01 -0.488455D-01
      3   0.258845D+01 -0.745421D+00  0.263002D+01 -0.488455D-01 -0.306285D+00
                91            92            93            94            95 
      1  -0.277133D+01  0.980766D+00  0.426938D+00  0.171848D+01 -0.167852D+01
      2   0.980766D+00 -0.103545D+01  0.314702D+01 -0.167852D+01  0.117342D+01
      3   0.426938D+00  0.314702D+01 -0.188532D+01  0.305151D+01 -0.234676D+01
                96            97            98            99           100 
      1   0.305151D+01  0.139215D+00  0.429588D+01 -0.288699D+01  0.529218D+00
      2  -0.234676D+01  0.429588D+01 -0.285973D+01  0.805068D+00  0.665235D+00
      3   0.241900D+00 -0.288699D+01  0.805068D+00 -0.266640D+00 -0.115393D+01
               101           102           103           104           105 
      1   0.665235D+00 -0.115393D+01  0.471482D+00 -0.313368D+00 -0.278005D+01
      2  -0.139962D+01 -0.268789D+01 -0.313368D+00  0.448118D+01  0.295363D+01
      3  -0.268789D+01  0.827463D+00 -0.278005D+01  0.295363D+01  0.155558D+01
               106           107           108           109           110 
      1  -0.164916D+01 -0.344533D+01  0.830212D+00  0.120117D+01 -0.122116D+00
      2  -0.344533D+01  0.450047D+01  0.272670D+01 -0.122116D+00  0.314362D+01
      3   0.830212D+00  0.272670D+01  0.913899D-01  0.634880D+00  0.215726D+01
               111           112           113           114           115 
      1   0.634880D+00  0.112354D+00  0.598329D+00  0.163490D+01  0.255428D+00
      2   0.215726D+01  0.598329D+00 -0.111095D+02 -0.504483D+01  0.108103D+01
      3  -0.542127D+00  0.163490D+01 -0.504483D+01 -0.199139D+01 -0.127304D+01
               116           117           118           119           120 
      1   0.108103D+01 -0.127304D+01  0.502916D+01  0.176669D+00  0.156683D+01
      2  -0.379884D+01 -0.212753D+01  0.176669D+00  0.134454D+01 -0.267850D+00
      3  -0.212753D+01  0.421502D+00  0.156683D+01 -0.267850D+00  0.140747D+01
               121           122           123           124           125 
      1  -0.764444D+00  0.858421D+00 -0.521443D+00  0.261229D+01 -0.466962D+00
      2   0.858421D+00 -0.831783D+00  0.412771D+00 -0.466962D+00  0.905186D+00
      3  -0.521443D+00  0.412771D+00 -0.424426D+00  0.200524D+01 -0.769079D-02
               126           127           128           129           130 
      1   0.200524D+01  0.432579D+01  0.277243D+01 -0.149942D+01  0.269408D+01
      2  -0.769079D-02  0.277243D+01  0.246100D+01 -0.133489D+01  0.297554D+01
      3   0.217983D+01 -0.149942D+01 -0.133489D+01  0.138317D+01 -0.136599D+01
               131           132           133           134           135 
      1   0.297554D+01 -0.136599D+01 -0.243776D+01 -0.251247D+01  0.243726D+01
      2   0.529187D+01 -0.193189D+01 -0.251247D+01 -0.282433D+01  0.233982D+01
      3  -0.193189D+01  0.152167D+01  0.243726D+01  0.233982D+01 -0.278308D+01
               136           137           138           139           140 
      1  -0.252275D+01  0.110798D+01 -0.111052D+01  0.967900D+00 -0.105693D+01
      2   0.110798D+01 -0.212309D+01  0.857470D+00 -0.105693D+01  0.351398D+01
      3  -0.111052D+01  0.857470D+00 -0.112959D+01  0.557683D+00 -0.932796D+00
               141           142           143           144           145 
      1   0.557683D+00 -0.172484D+01  0.985498D+00 -0.103746D+01  0.147695D+01
      2  -0.932796D+00  0.985498D+00 -0.173116D+01  0.176510D+01  0.192816D+01
      3   0.979192D+00 -0.103746D+01  0.176510D+01 -0.229559D+01  0.537235D+00
               146           147           148           149           150 
      1   0.192816D+01  0.537235D+00  0.150707D+01  0.186243D+01  0.822310D+00
      2   0.212548D+01  0.856468D+00  0.186243D+01  0.864323D+01  0.268729D+01
      3   0.856468D+00  0.575977D+00  0.822310D+00  0.268729D+01  0.187484D+01
               151           152           153           154           155 
      1   0.484148D+00  0.139826D+01  0.747215D+00 -0.250799D+01 -0.110795D+01
      2   0.139826D+01  0.476797D+01  0.316182D+01 -0.110795D+01 -0.212456D+01
      3   0.747215D+00  0.316182D+01  0.254176D+01  0.110016D+01  0.856631D+00
               156           157           158           159           160 
      1   0.110016D+01 -0.972134D+00 -0.105854D+01  0.558033D+00  0.171113D+01
      2   0.856631D+00 -0.105854D+01 -0.354670D+01  0.944164D+00  0.985718D+00
      3  -0.112062D+01  0.558033D+00  0.944164D+00 -0.985843D+00 -0.102612D+01
               161           162           163           164           165 
      1   0.985718D+00 -0.102612D+01  0.150059D+01 -0.193943D+01 -0.547848D+00
      2   0.174468D+01 -0.176989D+01 -0.193943D+01  0.214751D+01  0.869856D+00
      3  -0.176989D+01  0.228804D+01 -0.547848D+00  0.869856D+00  0.589021D+00
               166           167           168           169           170 
      1  -0.151543D+01  0.187772D+01  0.833356D+00 -0.499968D+00  0.141847D+01
      2   0.187772D+01 -0.858914D+01 -0.268212D+01  0.141847D+01 -0.476304D+01
      3   0.833356D+00 -0.268212D+01 -0.187573D+01  0.765575D+00 -0.316598D+01
               171           172           173           174           175 
      1   0.765575D+00  0.502847D+01 -0.160010D+00 -0.156069D+01  0.780610D+00
      2  -0.316598D+01 -0.160010D+00  0.134378D+01 -0.275324D+00  0.862423D+00
      3  -0.255719D+01 -0.156069D+01 -0.275324D+00  0.140205D+01 -0.528031D+00
               176           177           178           179           180 
      1   0.862423D+00 -0.528031D+00 -0.260034D+01 -0.479370D+00  0.200019D+01
      2   0.853187D+00 -0.417498D+00 -0.479370D+00 -0.908795D+00  0.193604D-01
      3  -0.417498D+00  0.431760D+00  0.200019D+01  0.193604D-01 -0.217389D+01
               181           182           183           184           185 
      1   0.436124D+01 -0.278007D+01  0.150909D+01 -0.270167D+01  0.297882D+01
      2  -0.278007D+01  0.246611D+01 -0.133731D+01  0.297882D+01 -0.526752D+01
      3   0.150909D+01 -0.133731D+01  0.138701D+01 -0.136689D+01  0.191955D+01
               186           187           188           189           190 
      1  -0.136689D+01  0.245085D+01 -0.251195D+01  0.244123D+01  0.421999D+01
      2   0.191955D+01 -0.251195D+01  0.280265D+01 -0.232853D+01  0.102671D+01
      3  -0.151500D+01  0.244123D+01 -0.232853D+01  0.277744D+01  0.169480D+01
               191           192           193           194           195 
      1   0.102671D+01  0.169480D+01  0.259985D+01  0.406431D-01  0.185243D+01
      2   0.159790D+01  0.825264D+00  0.406431D-01  0.208026D+01 -0.113949D+00
      3   0.825264D+00  0.142355D+01  0.185243D+01 -0.113949D+00  0.134080D+01
               196           197           198           199           200 
      1   0.905801D+00  0.111980D+01  0.879847D+00 -0.164092D+01  0.132322D+01
      2   0.111980D+01  0.224276D-01  0.649048D+00  0.132322D+01 -0.981532D+00
      3   0.879847D+00  0.649048D+00  0.168040D+01 -0.171524D+00  0.103255D+01
               201           202           203           204           205 
      1  -0.171524D+00  0.775654D-01 -0.678463D-01  0.396648D+00  0.106711D+01
      2   0.103255D+01 -0.678463D-01 -0.120446D+01  0.873533D+00 -0.145617D+00
      3  -0.157178D+01  0.396648D+00  0.873533D+00 -0.128257D+01  0.661902D-01
               206           207           208           209           210 
      1  -0.145617D+00  0.661902D-01 -0.344918D+01 -0.101938D+01 -0.152884D+01
      2   0.123483D+01 -0.127537D+01 -0.101938D+01 -0.355596D+01 -0.192661D+01
      3  -0.127537D+01  0.559941D+01 -0.152884D+01 -0.192661D+01 -0.179900D+01
               211           212           213           214           215 
      1  -0.160906D+01 -0.134762D+01 -0.957077D+00 -0.126538D+01 -0.921302D+00
      2  -0.134762D+01 -0.110246D+01 -0.116064D+00 -0.921302D+00  0.248222D+00
      3  -0.957077D+00 -0.116064D+00 -0.663439D+00 -0.961133D+00 -0.535043D+00
               216           217           218           219           220 
      1  -0.961133D+00  0.871494D+00 -0.678910D+00 -0.126097D+01 -0.493467D+00
      2  -0.535043D+00 -0.678910D+00  0.151652D+01  0.430382D+00 -0.863186D-01
      3  -0.175222D+01 -0.126097D+01  0.430382D+00  0.191276D+01 -0.221685D+00
               221           222           223           224           225 
      1  -0.863186D-01 -0.221685D+00 -0.109001D+01  0.167422D+00  0.111628D+01
      2   0.216898D+01  0.448048D+00  0.167422D+00 -0.128383D+01 -0.751353D+00
      3   0.448048D+00  0.610736D+00  0.111628D+01 -0.751353D+00 -0.548666D+01
               226           227           228           229           230 
      1   0.620031D+00  0.368388D+00  0.944155D+00  0.231897D+01 -0.112603D+01
      2   0.368388D+00 -0.100386D+01 -0.162700D+00 -0.112603D+01  0.567594D+01
      3   0.944155D+00 -0.162700D+00  0.248989D+00  0.794741D+00 -0.877971D+00
               231           232           233           234           235 
      1   0.794741D+00  0.190550D+01 -0.433095D+00  0.629891D+00  0.106854D+01
      2  -0.877971D+00 -0.433095D+00  0.227070D-01  0.459787D+00 -0.856747D+00
      3   0.118376D+01  0.629891D+00  0.459787D+00 -0.216338D+00  0.153714D+00
               236           237           238           239           240 
      1  -0.856747D+00  0.153714D+00 -0.137151D+01  0.126838D+00 -0.477506D+00
      2  -0.777373D-01 -0.395884D+00  0.126838D+00  0.715005D+00 -0.548557D+00
      3  -0.395884D+00  0.701418D+00 -0.477506D+00 -0.548557D+00 -0.354032D+00
               241           242           243           244           245 
      1  -0.171192D+01  0.202123D+00 -0.875529D+00 -0.346266D+01  0.102573D+01
      2   0.202123D+00 -0.955126D+00  0.105776D+01  0.102573D+01 -0.355533D+01
      3  -0.875529D+00  0.105776D+01 -0.695716D+01  0.154124D+01 -0.192292D+01
               246           247           248           249           250 
      1   0.154124D+01  0.160703D+01 -0.134177D+01 -0.952700D+00  0.127266D+01
      2  -0.192292D+01 -0.134177D+01  0.107843D+01  0.106527D+00 -0.916397D+00
      3  -0.180350D+01 -0.952700D+00  0.106527D+00  0.659267D+00 -0.964444D+00
               251           252           253           254           255 
      1  -0.916397D+00 -0.964444D+00  0.867435D+00  0.677996D+00  0.126421D+01
      2  -0.250278D+00  0.536206D+00  0.677996D+00  0.153196D+01  0.439496D+00
      3   0.536206D+00  0.175714D+01  0.126421D+01  0.439496D+00  0.191983D+01
               256           257           258           259           260 
      1   0.497772D+00 -0.740716D-01 -0.215374D+00  0.109029D+01  0.169109D+00
      2  -0.740716D-01 -0.216410D+01 -0.447003D+00  0.169109D+00  0.128858D+01
      3  -0.215374D+00 -0.447003D+00 -0.598703D+00  0.111770D+01  0.762125D+00
               261           262           263           264           265 
      1   0.111770D+01  0.424532D+01 -0.102378D+01 -0.169766D+01 -0.259055D+01
      2   0.762125D+00 -0.102378D+01  0.160427D+01  0.816985D+00  0.380751D-01
      3   0.548711D+01 -0.169766D+01  0.816985D+00  0.142172D+01  0.184341D+01
               266           267           268           269           270 
      1   0.380751D-01  0.184341D+01 -0.902026D+00  0.111773D+01  0.872781D+00
      2  -0.207944D+01  0.128954D+00  0.111773D+01 -0.736021D-02 -0.644360D+00
      3   0.128954D+00 -0.133047D+01  0.872781D+00 -0.644360D+00 -0.166556D+01
               271           272           273           274           275 
      1  -0.162768D+01 -0.132655D+01  0.168143D+00 -0.859877D-01 -0.731207D-01
      2  -0.132655D+01 -0.987693D+00  0.103069D+01 -0.731207D-01  0.119439D+01
      3   0.168143D+00  0.103069D+01 -0.156957D+01  0.396577D+00 -0.864676D+00
               276           277           278           279           280 
      1   0.396577D+00 -0.107027D+01 -0.150820D+00  0.708826D-01 -0.107073D+01
      2  -0.864676D+00 -0.150820D+00 -0.123648D+01  0.126997D+01 -0.829357D+00
      3   0.126860D+01  0.708826D-01  0.126997D+01 -0.561295D+01 -0.102643D+01
               281           282           283           284           285 
      1  -0.829357D+00 -0.102643D+01 -0.155312D+01 -0.128882D+01 -0.521233D+00
      2  -0.429457D+00 -0.202964D+00 -0.128882D+01 -0.423473D+01 -0.204615D+01
      3  -0.202964D+00 -0.429211D+00 -0.521233D+00 -0.204615D+01 -0.221339D+01
               286           287           288           289           290 
      1  -0.159501D+01 -0.383206D+00 -0.913412D+00 -0.901173D+01  0.227415D+01
      2  -0.383206D+00 -0.149732D+01 -0.153837D+01  0.227415D+01 -0.159999D+01
      3  -0.913412D+00 -0.153837D+01 -0.218581D+01 -0.243623D+01  0.618858D+00
               291           292           293           294           295 
      1  -0.243623D+01  0.426611D+01 -0.248347D+01  0.138942D+01 -0.274974D+01
      2   0.618858D+00 -0.248347D+01  0.140986D+01 -0.126828D+01  0.787635D+00
      3  -0.182798D+01  0.138942D+01 -0.126828D+01  0.898415D+00 -0.242106D+01
               296           297           298           299           300 
      1   0.787635D+00 -0.242106D+01 -0.897820D+01 -0.229524D+01  0.241856D+01
      2  -0.767137D+00  0.651514D+00 -0.229524D+01 -0.161428D+01  0.619443D+00
      3   0.651514D+00 -0.149331D+01  0.241856D+01  0.619443D+00 -0.181705D+01
               301           302           303           304           305 
      1  -0.429041D+01 -0.250820D+01  0.138936D+01  0.272870D+01  0.790175D+00
      2  -0.250820D+01 -0.143971D+01  0.127304D+01  0.790175D+00  0.770745D+00
      3   0.138936D+01  0.127304D+01 -0.904011D+00 -0.240902D+01 -0.658713D+00
               306           307           308           309           310 
      1  -0.240902D+01 -0.108264D+01  0.836589D+00  0.102901D+01  0.156558D+01
      2  -0.658713D+00  0.836589D+00 -0.445728D+00 -0.212373D+00 -0.130431D+01
      3   0.148128D+01  0.102901D+01 -0.212373D+00 -0.441348D+00 -0.529534D+00
               311           312           313           314           315 
      1  -0.130431D+01 -0.529534D+00  0.159867D+01 -0.388626D+00 -0.920466D+00
      2   0.422370D+01  0.204169D+01 -0.388626D+00  0.149422D+01  0.153436D+01
      3   0.204169D+01  0.221122D+01 -0.920466D+00  0.153436D+01  0.218235D+01
               316           317           318           319           320 
      1   0.105540D+01  0.861728D+00 -0.150319D+00  0.138269D+01  0.137954D+00
      2   0.861728D+00 -0.701278D-01 -0.395560D+00  0.137954D+00 -0.709251D+00
      3  -0.150319D+00 -0.395560D+00  0.693653D+00 -0.482310D+00  0.543575D+00
               321           322           323           324           325 
      1  -0.482310D+00  0.171099D+01  0.205952D+00 -0.878550D+00  0.633324D+00
      2   0.543575D+00  0.205952D+00  0.953914D+00 -0.105071D+01 -0.358450D+00
      3   0.369156D+00 -0.878550D+00 -0.105071D+01  0.696131D+01 -0.944631D+00
               326           327           328           329           330 
      1  -0.358450D+00 -0.944631D+00 -0.231419D+01 -0.111579D+01  0.791482D+00
      2  -0.979445D+00 -0.167106D+00 -0.111579D+01 -0.568884D+01  0.889677D+00
      3  -0.167106D+00  0.251728D+00  0.791482D+00  0.889677D+00 -0.118626D+01
               331           332           333 
      1  -0.189722D+01 -0.436082D+00  0.626824D+00
      2  -0.436082D+00 -0.170028D-01 -0.458909D+00
      3   0.626824D+00 -0.458909D+00  0.223986D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.214448D+01 -0.443933D+00  0.160332D+00  0.607024D+00 -0.223957D+01
      2  -0.514839D+01 -0.669149D+01  0.686051D+01 -0.813419D+01 -0.765878D+01
      3  -0.102251D+02 -0.143218D+01  0.282181D+01  0.799738D+00  0.110266D+02
                 6             7             8             9            10 
      1  -0.402432D+01  0.663831D+00 -0.150507D+00 -0.858866D+00  0.213695D+01
      2  -0.654869D+01  0.286345D+01 -0.182972D+01  0.220445D+01  0.521735D+01
      3   0.814464D+01  0.407330D+01  0.848379D+01  0.433207D+01  0.102397D+02
                11            12            13            14            15 
      1   0.499884D+00 -0.171888D+00 -0.539212D+00 -0.224567D+01 -0.404232D+01
      2  -0.672656D+01  0.685198D+01 -0.818228D+01  0.758423D+01  0.654340D+01
      3  -0.129398D+01  0.288596D+01  0.963412D+00 -0.110033D+02 -0.814087D+01
                16            17            18            19            20 
      1  -0.670681D+00 -0.154594D+00 -0.841668D+00 -0.186823D+01  0.748417D+01
      2   0.286059D+01  0.182365D+01 -0.219755D+01 -0.229986D+02 -0.358706D+01
      3   0.414759D+01 -0.847828D+01 -0.432533D+01 -0.173720D+02  0.193152D+01
                21            22            23            24            25 
      1   0.364244D+01  0.209822D+02  0.170506D+02 -0.112606D+02  0.144091D+02
      2  -0.225572D+00 -0.194535D+01 -0.305000D+01 -0.119681D+01 -0.269724D+02
      3   0.453748D+01  0.283863D+02  0.188033D+02 -0.115082D+02  0.483588D+01
                26            27            28            29            30 
      1   0.752073D+01 -0.158158D+02 -0.210650D+01  0.132702D-01  0.245692D-01
      2  -0.103658D+02  0.241722D+02  0.500729D-02  0.117318D+01 -0.909187D+01
      3  -0.262875D+01 -0.118693D+01 -0.237272D-01  0.152232D+02  0.104183D+01
                31            32            33            34            35 
      1  -0.313470D-01  0.127046D+00  0.106439D+02  0.761170D-02 -0.191721D+02
      2  -0.322197D+00 -0.243679D-01 -0.210778D-01  0.211675D+02  0.168910D-01
      3  -0.176672D+02  0.438354D-01  0.456045D-01  0.503409D+00  0.112956D-01
                36            37            38            39            40 
      1   0.538263D+00 -0.518620D+01  0.940265D+01  0.628740D+01  0.163821D+02
      2  -0.932761D-02 -0.243559D+02 -0.100108D+02  0.841823D+01  0.468593D+00
      3  -0.686873D-02 -0.232906D+02 -0.222382D+01  0.118038D+02  0.229904D+02
                41            42            43            44            45 
      1   0.143444D+02 -0.669204D+01  0.134736D+02  0.916709D+01 -0.830469D+01
      2   0.210397D+00 -0.993270D+01 -0.221098D+02 -0.200784D+02  0.211251D+02
      3   0.200809D+02 -0.113260D+02  0.407465D+01 -0.674229D+01  0.393226D+01
                46            47            48            49            50 
      1   0.646822D+01 -0.507557D+01  0.272945D+01 -0.442881D+01 -0.860145D+01
      2  -0.468542D+01  0.556204D+01 -0.184189D+01  0.425110D+01  0.585687D+01
      3  -0.404240D+01  0.533520D-01 -0.979643D+01  0.540579D+01 -0.243728D+01
                51            52            53            54            55 
      1  -0.611884D+01  0.739226D+00 -0.321442D+01  0.211001D+01 -0.122736D+01
      2   0.283019D+01 -0.371770D+01  0.402117D+01 -0.175403D+01 -0.735307D+00
      3  -0.283390D+01 -0.139699D+02 -0.132146D+01 -0.492652D+01  0.557824D+01
                56            57            58            59            60 
      1   0.948934D+01 -0.633153D+01  0.107693D+02  0.302666D+01 -0.695402D+00
      2  -0.437843D+01  0.414721D+01 -0.379100D+01 -0.210658D+00  0.690480D+00
      3  -0.416938D+01  0.309850D+01  0.775756D+00  0.363776D+00 -0.956672D+01
                61            62            63            64            65 
      1  -0.620805D+01 -0.182915D+00 -0.250019D+01  0.173910D+00  0.213812D+01
      2   0.116637D+00  0.138513D+01  0.939931D+00 -0.220803D+01  0.221826D+02
      3   0.597426D+01 -0.124254D+02  0.523325D+01 -0.489659D+00 -0.375174D+02
                66            67            68            69            70 
      1   0.644781D+01 -0.184337D+01 -0.236318D+02  0.116793D+01  0.759971D+01
      2   0.134987D+02  0.105098D+02 -0.146825D+01 -0.261879D+01  0.160056D+01
      3  -0.157376D+02 -0.107604D+02  0.438656D+01  0.476213D+01 -0.760337D+01
                71            72            73            74            75 
      1   0.340303D+02  0.217256D+02 -0.184045D+01 -0.752106D+01 -0.357745D+01
      2   0.605511D-01  0.306359D+01  0.230666D+02 -0.354437D+01 -0.160311D+00
      3   0.735503D+00 -0.390987D+01  0.172970D+02  0.200343D+01  0.450534D+01
                76            77            78            79            80 
      1  -0.210088D+02  0.169399D+02 -0.112494D+02 -0.143488D+02  0.748265D+01
      2  -0.196383D+01  0.309422D+01  0.119011D+01 -0.269662D+02  0.103418D+02
      3   0.284093D+02 -0.186833D+02  0.114866D+02  0.484194D+01  0.262391D+01
                81            82            83            84            85 
      1  -0.157280D+02 -0.518145D+01 -0.943641D+01 -0.633735D+01 -0.164435D+02
      2  -0.242235D+02  0.242844D+02 -0.100087D+02  0.836764D+01  0.517794D+00
      3   0.114913D+01  0.231625D+02 -0.213051D+01  0.118059D+02  0.231133D+02
                86            87            88            89            90 
      1   0.142779D+02 -0.673420D+01 -0.134425D+02  0.903796D+01 -0.824808D+01
      2  -0.230776D+00  0.998861D+01 -0.221730D+02  0.200350D+02 -0.211068D+02
      3  -0.200313D+02  0.113845D+02  0.405826D+01  0.679455D+01 -0.392730D+01
                91            92            93            94            95 
      1   0.641081D+01  0.512481D+01 -0.266200D+01  0.446793D+01 -0.850163D+01
      2   0.468020D+01  0.562654D+01 -0.180353D+01  0.428503D+01 -0.581097D+01
      3   0.405290D+01  0.107130D+00 -0.981192D+01  0.543699D+01  0.244945D+01
                96            97            98            99           100 
      1  -0.614109D+01 -0.675270D+00 -0.324138D+01  0.209156D+01 -0.114198D+01
      2  -0.288296D+01 -0.366914D+01 -0.408819D+01  0.175974D+01  0.767322D+00
      3   0.276815D+01 -0.139565D+02  0.122208D+01  0.492706D+01 -0.556132D+01
               101           102           103           104           105 
      1  -0.952636D+01  0.626993D+01 -0.107947D+02  0.297794D+01 -0.630539D+00
      2  -0.442011D+01  0.415889D+01 -0.383252D+01  0.187705D+00 -0.679753D+00
      3  -0.422624D+01  0.305800D+01  0.738489D+00 -0.435294D+00  0.959538D+01
               106           107           108           109           110 
      1   0.614774D+01 -0.981197D-01 -0.246335D+01  0.160010D+00 -0.215665D+01
      2   0.123098D+00 -0.137762D+01 -0.939355D+00  0.209708D+01  0.221646D+02
      3   0.589959D+01  0.124711D+02 -0.518308D+01  0.653056D+00 -0.374763D+02
               111           112           113           114           115 
      1  -0.651421D+01  0.188979D+01 -0.236132D+02  0.110144D+01 -0.771488D+01
      2   0.134551D+02  0.105128D+02  0.153789D+01  0.268360D+01  0.156164D+01
      3  -0.157095D+02 -0.107210D+02 -0.459322D+01 -0.483027D+01 -0.757397D+01
               116           117           118           119           120 
      1   0.340246D+02  0.217555D+02 -0.438291D+01  0.118251D+01 -0.315666D+01
      2   0.513842D-01 -0.300191D+01  0.534736D+01 -0.107990D+01  0.528474D+01
      3  -0.763265D+00  0.390145D+01  0.119240D+02 -0.472393D+01  0.511324D+01
               121           122           123           124           125 
      1   0.161095D+01 -0.966552D+00  0.644582D+00 -0.455918D+01  0.213802D+01
      2  -0.179476D+01  0.145599D+01 -0.222371D+01  0.466959D+01 -0.605980D+00
      3  -0.387826D+01  0.668757D+01 -0.296588D+01  0.813752D+01 -0.496376D+01
               126           127           128           129           130 
      1  -0.619948D+01  0.177951D+01  0.106683D+01 -0.355557D+01  0.228708D+01
      2   0.719243D+01 -0.717594D+00 -0.110343D+01  0.345871D+01 -0.205042D+01
      3   0.514806D+01  0.464673D+01 -0.176379D+00 -0.990181D+00  0.109400D+01
               131           132           133           134           135 
      1   0.147389D+01 -0.408124D+01 -0.221990D+01 -0.306605D+00  0.559368D+01
      2  -0.259114D+01  0.347650D+01  0.128456D+01  0.225595D+01 -0.515071D+01
      3  -0.511981D+01  0.781100D+00  0.868676D+00  0.354306D+01  0.240425D+00
               136           137           138           139           140 
      1   0.476383D+01 -0.344519D+01  0.503727D+01 -0.246985D+01  0.345556D+01
      2  -0.976324D+00  0.766683D+00  0.358720D+00  0.622388D+00 -0.504883D+00
      3  -0.121777D+02  0.389831D+01 -0.536975D+01  0.440768D+01 -0.636681D+01
               141           142           143           144           145 
      1  -0.393804D+01  0.437459D+01 -0.468494D+01  0.938334D+01 -0.533988D+00
      2   0.283670D+00 -0.217498D+01  0.597280D+00 -0.170992D+01 -0.243547D+00
      3   0.278721D+01 -0.811286D+01  0.454647D+01 -0.507805D+01  0.298755D+01
               146           147           148           149           150 
      1  -0.254897D+01 -0.193184D+01 -0.104763D+01 -0.425077D+01 -0.666434D+01
      2   0.357174D+00  0.976963D+00 -0.397365D+00  0.147430D+01  0.197621D+01
      3   0.287086D+01  0.776680D+00  0.473346D+01 -0.237704D+01 -0.381132D+00
               151           152           153           154           155 
      1  -0.704549D+00 -0.272087D+01 -0.694890D+01  0.472644D+01  0.345110D+01
      2  -0.128079D+01  0.686003D+00  0.211201D+01  0.977246D+00  0.775266D+00
      3   0.247223D+01  0.249331D+01 -0.287003D+00  0.121441D+02  0.393726D+01
               156           157           158           159           160 
      1  -0.500971D+01  0.246938D+01  0.350350D+01 -0.397193D+01 -0.433468D+01
      2   0.347696D+00  0.630921D+00  0.522898D+00 -0.296466D+00 -0.217266D+01
      3  -0.534067D+01  0.443950D+01  0.643841D+01 -0.280325D+01 -0.807741D+01
               161           162           163           164           165 
      1  -0.471821D+01  0.936329D+01 -0.553534D+00  0.255829D+01  0.196782D+01
      2  -0.625604D+00  0.173520D+01  0.246438D+00  0.373069D+00  0.997284D+00
      3  -0.458357D+01  0.506370D+01 -0.302823D+01  0.285060D+01  0.779972D+00
               166           167           168           169           170 
      1   0.107585D+01 -0.424539D+01 -0.664409D+01  0.739241D+00 -0.273121D+01
      2  -0.385394D+00 -0.149310D+01 -0.199662D+01 -0.127522D+01 -0.702074D+00
      3   0.470605D+01  0.239872D+01  0.374402D+00  0.249344D+01 -0.248900D+01
               171           172           173           174           175 
      1  -0.698560D+01 -0.434467D+01 -0.119756D+01  0.312353D+01 -0.161990D+01
      2  -0.215274D+01 -0.534889D+01 -0.111067D+01  0.527419D+01 -0.182082D+01
      3   0.270510D+00 -0.119097D+02 -0.477727D+01  0.510683D+01 -0.392512D+01
               176           177           178           179           180 
      1  -0.989398D+00  0.658154D+00  0.451928D+01  0.216755D+01 -0.615830D+01
      2  -0.148169D+01  0.225559D+01  0.467273D+01  0.644214D+00 -0.719932D+01
      3  -0.676888D+01  0.299751D+01  0.811518D+01  0.501002D+01 -0.514909D+01
               181           182           183           184           185 
      1   0.178708D+01 -0.106200D+01  0.355520D+01 -0.227211D+01  0.144133D+01
      2   0.730573D+00 -0.111139D+01  0.348116D+01 -0.205937D+01  0.257439D+01
      3  -0.466296D+01 -0.213172D+00 -0.986958D+00  0.105106D+01  0.512572D+01
               186           187           188           189           190 
      1  -0.405476D+01  0.220849D+01 -0.288039D+00  0.556441D+01  0.437159D+01
      2  -0.347717D+01  0.128817D+01 -0.223783D+01  0.515761D+01 -0.270119D+01
      3  -0.781385D+00  0.875002D+00 -0.352291D+01 -0.243015D+00 -0.691421D+01
               191           192           193           194           195 
      1   0.352138D+01  0.319773D+01  0.490581D+01  0.464039D+01  0.226159D+01
      2  -0.114284D+01  0.796367D+00 -0.512650D+01  0.825992D+00 -0.659687D+00
      3  -0.547100D+01 -0.344197D+01 -0.758390D+01 -0.535427D+01 -0.427715D+01
               196           197           198           199           200 
      1   0.166245D+01  0.245853D+01  0.237800D+01  0.104332D+01 -0.148685D+01
      2   0.654919D+00  0.952747D+00  0.682512D+00 -0.265361D+01  0.378071D+01
      3  -0.123342D+01 -0.916614D+00 -0.281225D+01 -0.283596D+01  0.275164D+01
               201           202           203           204           205 
      1  -0.864115D+00  0.201448D+00 -0.193375D+00 -0.876833D+00 -0.111527D+00
      2  -0.656203D+01  0.201237D+01  0.135591D+01 -0.247131D+01 -0.152704D+01
      3  -0.326211D+01  0.198756D+01  0.928115D+00 -0.142991D+01 -0.714665D-01
               206           207           208           209           210 
      1   0.138430D+01  0.407532D+01 -0.239103D+01  0.277966D+01 -0.194181D+01
      2  -0.264214D+01  0.111859D+02 -0.781668D+01 -0.471333D+01 -0.341712D+01
      3  -0.222672D+01  0.230678D+01  0.114456D+02  0.499833D+01  0.601383D+01
               211           212           213           214           215 
      1   0.172461D+00 -0.109942D+01 -0.173258D+01 -0.254741D+01 -0.144120D+00
      2  -0.172027D+01 -0.258700D+00 -0.898525D+00 -0.236161D+01 -0.119095D+00
      3   0.300990D+01  0.850531D+00  0.869416D+00  0.194341D+01  0.683344D+00
               216           217           218           219           220 
      1  -0.184627D+01 -0.234235D+01  0.537337D+00  0.528772D+01 -0.432617D+00
      2  -0.179556D+01  0.179994D+01 -0.147463D+01 -0.156808D+01  0.774640D+00
      3   0.284959D+01 -0.222941D+01  0.924001D+00  0.296487D+01  0.672308D-01
               221           222           223           224           225 
      1   0.289053D+01  0.364241D+01  0.210998D+01  0.287826D+00 -0.114645D+02
      2  -0.292791D+01 -0.168223D+01 -0.245329D+01  0.744174D+00  0.172222D+01
      3   0.403700D+01  0.205957D+01  0.212875D+01 -0.113935D+01 -0.247203D+01
               226           227           228           229           230 
      1   0.151980D+01 -0.141172D+01  0.127317D+01  0.283941D+01 -0.996288D+01
      2   0.186286D+01  0.283814D+00  0.180711D+01  0.294345D+01  0.333260D+00
      3  -0.691076D-01  0.968893D+00 -0.865933D+00  0.325176D+00  0.121758D+02
               231           232           233           234           235 
      1   0.397817D+00  0.303660D+01 -0.271731D+01  0.375826D+00 -0.271885D+01
      2  -0.840299D+00  0.162114D+01 -0.197062D+01  0.741083D+00 -0.249699D+00
      3  -0.194389D+01 -0.876532D+00  0.265533D+01  0.796346D-02  0.186266D+01
               236           237           238           239           240 
      1   0.105320D+01 -0.248989D+01  0.116613D+01  0.302599D+00  0.190365D+01
      2   0.183460D+01 -0.325441D+01  0.688877D+00  0.121532D+01  0.134431D+01
      3  -0.949471D+00 -0.843530D-01  0.294833D+00  0.159841D+00 -0.170257D+01
               241           242           243           244           245 
      1   0.152587D+01  0.604764D+00  0.666774D+01 -0.240784D+01 -0.275299D+01
      2  -0.110207D+01 -0.257119D+01  0.138435D+02  0.782969D+01 -0.470120D+01
      3  -0.198193D+01 -0.136745D+01  0.142171D+01 -0.114755D+02  0.496495D+01
               246           247           248           249           250 
      1   0.197460D+01 -0.166538D+00 -0.111312D+01 -0.173084D+01  0.255912D+01
      2  -0.341243D+01 -0.169477D+01  0.224609D+00  0.881008D+00 -0.235557D+01
      3   0.601823D+01  0.297608D+01 -0.821169D+00 -0.850965D+00  0.195116D+01
               251           252           253           254           255 
      1  -0.133608D+00 -0.185777D+01 -0.234313D+01 -0.556778D+00 -0.530739D+01
      2   0.119977D+00  0.179275D+01 -0.180851D+01 -0.149462D+01 -0.159395D+01
      3  -0.691747D+00 -0.286006D+01  0.223319D+01  0.950035D+00  0.298024D+01
               256           257           258           259           260 
      1   0.409079D+00  0.285625D+01  0.360031D+01 -0.211335D+01  0.265887D+00
      2   0.759254D+00  0.293732D+01  0.168496D+01 -0.246410D+01 -0.758137D+00
      3   0.847627D-01 -0.403058D+01 -0.204846D+01  0.213349D+01  0.115594D+01
               261           262           263           264           265 
      1  -0.114577D+02  0.439240D+01 -0.352335D+01 -0.318783D+01 -0.487870D+01
      2  -0.176601D+01  0.274903D+01 -0.115430D+01  0.787260D+00 -0.515028D+01
      3   0.248595D+01  0.697821D+01 -0.549230D+01 -0.344336D+01 -0.759169D+01
               266           267           268           269           270 
      1   0.463567D+01  0.222221D+01 -0.164869D+01  0.244114D+01  0.234819D+01
      2  -0.806735D+00  0.668222D+00  0.672646D+00 -0.939940D+00 -0.671720D+00
      3   0.536129D+01  0.423604D+01 -0.120804D+01  0.895907D+00  0.278777D+01
               271           272           273           274           275 
      1   0.101106D+01  0.146101D+01  0.890124D+00 -0.210502D+00 -0.182774D+00
      2   0.265994D+01  0.379256D+01 -0.655834D+01  0.202861D+01 -0.132302D+01
      3   0.282349D+01  0.274862D+01 -0.324786D+01  0.199739D+01 -0.897668D+00
               276           277           278           279           280 
      1  -0.874368D+00  0.110322D+00  0.138684D+01  0.412810D+01  0.879081D+00
      2   0.242427D+01 -0.150916D+01  0.263337D+01 -0.112116D+02  0.369257D+01
      3   0.141328D+01 -0.651963D-01  0.222940D+01 -0.229167D+01 -0.281972D+01
               281           282           283           284           285 
      1   0.663916D-01  0.202926D+00  0.134801D+01  0.522317D+01  0.562996D+00
      2  -0.658323D+00  0.221133D+00 -0.724569D+00  0.600553D+01  0.790931D+01
      3  -0.914588D+00 -0.406806D+00 -0.144315D+01 -0.161388D+02 -0.733510D+01
               286           287           288           289           290 
      1   0.398341D-01  0.278988D+01  0.115745D+01 -0.147608D+01  0.153763D+01
      2  -0.283481D+00  0.542124D+01  0.630982D+01 -0.325231D+00 -0.494618D+00
      3  -0.886345D+00 -0.564028D+01 -0.588181D+01  0.528471D+01 -0.645813D+01
               291           292           293           294           295 
      1  -0.176949D+00  0.164834D+01 -0.146677D+01 -0.113333D+00 -0.880591D-01
      2   0.588303D+01  0.358459D+01  0.124864D+01 -0.152610D+01  0.229473D+01
      3   0.229263D+01 -0.354853D+01  0.486572D+01 -0.335110D+01 -0.451797D-01
               296           297           298           299           300 
      1   0.132517D+01  0.885577D-01 -0.146385D+01 -0.152980D+01  0.148384D+00
      2  -0.150249D+01  0.263162D+01  0.305483D+00 -0.488362D+00  0.587424D+01
      3  -0.298839D+01  0.111486D+01 -0.526320D+01 -0.646578D+01  0.227033D+01
               301           302           303           304           305 
      1  -0.166949D+01 -0.147546D+01 -0.123914D+00  0.777901D-01  0.131464D+01
      2   0.359678D+01 -0.123714D+01  0.155829D+01  0.228610D+01  0.151477D+01
      3  -0.358075D+01 -0.493014D+01  0.335972D+01 -0.590726D-01  0.298404D+01
               306           307           308           309           310 
      1   0.965818D-01  0.904227D+00 -0.835030D-01 -0.208942D+00 -0.136457D+01
      2  -0.260516D+01 -0.370872D+01 -0.637823D+00  0.271599D+00 -0.709137D+00
      3  -0.111456D+01  0.285383D+01 -0.982235D+00 -0.456458D+00 -0.152400D+01
               311           312           313           314           315 
      1   0.522540D+01  0.579856D+00 -0.595673D-01  0.280377D+01  0.117260D+01
      2  -0.598619D+01 -0.790846D+01 -0.250966D+00 -0.540521D+01 -0.630374D+01
      3   0.161401D+02  0.733172D+01 -0.929035D+00  0.563960D+01  0.588185D+01
               316           317           318           319           320 
      1  -0.271160D+01 -0.106778D+01  0.248861D+01 -0.118908D+01  0.306097D+00
      2   0.236821D+00  0.182105D+01 -0.322657D+01  0.686165D+00 -0.120361D+01
      3  -0.187473D+01 -0.964181D+00 -0.725432D-01  0.272359D+00 -0.153045D+00
               321           322           323           324           325 
      1   0.193480D+01 -0.153242D+01  0.592049D+00  0.672750D+01  0.154929D+01
      2  -0.137879D+01 -0.110367D+01  0.255008D+01 -0.138269D+02 -0.187523D+01
      3   0.170772D+01 -0.199158D+01  0.135080D+01 -0.139280D+01  0.983900D-01
               326           327           328           329           330 
      1   0.145890D+01 -0.128389D+01 -0.282059D+01 -0.996677D+01  0.411089D+00
      2   0.286195D+00  0.179990D+01  0.293180D+01 -0.377541D+00  0.851420D+00
      3   0.102715D+01 -0.889821D+00  0.346171D+00 -0.121819D+02  0.197121D+01
               331           332           333 
      1  -0.302550D+01 -0.271589D+01  0.376275D+00
      2   0.159613D+01  0.196522D+01 -0.744871D+00
      3  -0.885964D+00 -0.264017D+01 -0.614526D-02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.205643D+02  0.239192D+02 -0.197364D+02  0.292471D+02 -0.320570D+01
      2   0.129269D+02 -0.136298D+02  0.981445D+01 -0.173307D+02  0.307171D+01
      3   0.763740D+01 -0.102894D+02  0.992192D+01 -0.119163D+02  0.133991D+00
      4   0.222077D+02 -0.712334D+01  0.409416D+01 -0.948243D+01 -0.116507D+02
      5  -0.200134D+02  0.535675D+01 -0.817070D+01  0.989768D+01 -0.184752D+02
      6   0.667990D+01 -0.112299D+01 -0.398109D+00 -0.489481D+01 -0.502531D+01
                 6             7             8             9            10 
      1   0.750327D+01 -0.160838D+02  0.533380D+01 -0.390292D+01 -0.201659D+02
      2  -0.468239D+01  0.784116D+01 -0.335673D+01  0.426790D+00  0.125899D+02
      3  -0.282088D+01  0.824266D+01 -0.197707D+01  0.347613D+01  0.757602D+01
      4  -0.160403D+02  0.484388D+01 -0.131169D+02 -0.371238D+01 -0.222913D+02
      5  -0.536726D+01 -0.793827D+01 -0.367470D+01  0.449746D+01  0.198590D+02
      6  -0.663692D+01  0.734996D+00 -0.553036D+01 -0.154981D+01  0.669942D+01
                11            12            13            14            15 
      1  -0.239345D+02  0.196561D+02 -0.292903D+02 -0.361547D+01  0.737128D+01
      2   0.135927D+02 -0.973080D+01  0.173107D+02  0.331745D+01 -0.456669D+01
      3   0.103418D+02 -0.992525D+01  0.119796D+02  0.298018D+00 -0.280459D+01
      4  -0.746360D+01  0.407000D+01 -0.988455D+01  0.115653D+02  0.161116D+02
      5   0.526204D+01 -0.809971D+01  0.979665D+01  0.185628D+02  0.538097D+01
      6   0.119474D+01  0.429186D+00  0.498943D+01 -0.491967D+01 -0.659169D+01
                16            17            18            19            20 
      1   0.159731D+02  0.520268D+01 -0.383141D+01  0.158179D+02  0.131514D+02
      2  -0.774389D+01 -0.324418D+01  0.409983D+00 -0.165356D+02 -0.934174D+01
      3  -0.822922D+01 -0.195850D+01  0.342143D+01  0.717686D+00 -0.380968D+01
      4   0.480613D+01  0.131767D+02  0.372071D+01  0.573986D+01  0.543085D+00
      5  -0.786461D+01  0.369678D+01 -0.453300D+01 -0.114903D+02 -0.330399D+01
      6  -0.707452D+00 -0.551435D+01 -0.155755D+01 -0.797578D+01  0.988295D+00
                21            22            23            24            25 
      1  -0.119101D+02  0.668499D+01  0.203909D+01  0.133390D+01 -0.587432D+01
      2   0.115380D+02 -0.501234D+01 -0.814143D+01  0.949578D+00  0.630456D+01
      3   0.372045D+00 -0.167264D+01  0.610234D+01 -0.228347D+01 -0.430238D+00
      4  -0.122485D+01 -0.193524D-02 -0.117313D+02 -0.173878D+01 -0.146760D+01
      5   0.907982D+01 -0.227135D+01 -0.279082D+01  0.155245D+01  0.611548D+01
      6   0.171924D+01 -0.808136D-01  0.484751D+01  0.418056D+01  0.514581D+00
                26            27            28            29            30 
      1  -0.586224D+00  0.101408D+02 -0.133941D+02 -0.195246D-02  0.244213D-01
      2  -0.136171D+00  0.375782D+01  0.324955D+01 -0.395135D-03 -0.279172D-01
      3   0.722394D+00 -0.138986D+02  0.101445D+02  0.234759D-02  0.349596D-02
      4   0.157440D+00 -0.132214D+01  0.410590D-02 -0.776883D+01 -0.532385D+01
      5  -0.203765D+00  0.644328D+01  0.179731D-01 -0.316583D+01 -0.383901D+01
      6   0.376936D+01  0.219027D+01 -0.277628D+01 -0.100711D-01  0.676352D-02
                31            32            33            34            35 
      1  -0.449839D-02  0.351975D+01 -0.587051D+01  0.169392D-01 -0.831817D+01
      2   0.280568D-02 -0.124679D+02  0.697250D+01 -0.243083D-01  0.907341D+01
      3   0.169271D-02  0.894818D+01 -0.110199D+01  0.736913D-02 -0.755232D+00
      4  -0.887257D+01  0.714894D-02 -0.272279D-01 -0.818290D+01 -0.193669D-01
      5  -0.319211D+01 -0.741114D-02 -0.278921D-02  0.355685D+01 -0.588787D-02
      6  -0.101109D-01  0.371640D+01 -0.398057D+01  0.716398D-02  0.257203D+01
                36            37            38            39            40 
      1   0.102026D+01 -0.601759D+01  0.106067D+01  0.101532D+02  0.653821D+00
      2   0.126157D+01  0.100024D+02 -0.353736D+01 -0.729573D+01  0.287826D+00
      3  -0.228183D+01 -0.398485D+01  0.247669D+01 -0.285744D+01 -0.941647D+00
      4  -0.587990D-02  0.108139D+02  0.671332D+01 -0.862444D+01  0.104445D+02
      5   0.121873D-01  0.233877D+01 -0.118049D+02  0.365156D+01 -0.110534D+02
      6  -0.756381D+00 -0.405955D+01 -0.544238D+01  0.680546D+01 -0.450885D+01
                41            42            43            44            45 
      1  -0.715321D+01 -0.496448D+01  0.930401D+01 -0.536820D+01  0.568898D+01
      2   0.545350D+01 -0.441067D+01 -0.498383D+01 -0.844258D+00  0.160189D+01
      3   0.169972D+01  0.937516D+01 -0.432018D+01  0.621246D+01 -0.729087D+01
      4   0.838122D+01 -0.986863D+01 -0.353841D+01 -0.688217D+01  0.280063D+01
      5  -0.499178D+01  0.379167D+01  0.268330D+01  0.118587D+01  0.758915D+00
      6  -0.355677D+01  0.221209D+01  0.430509D+01  0.480094D+00  0.585151D+01
                46            47            48            49            50 
      1  -0.833352D+01  0.140496D+01 -0.138539D+02  0.145958D+01 -0.536828D+00
      2   0.228892D+01 -0.229519D+01  0.174944D+02 -0.515550D+01 -0.258332D+00
      3   0.604460D+01  0.890235D+00 -0.364043D+01  0.369592D+01  0.795161D+00
      4  -0.125522D+02 -0.893688D+01  0.783695D+01 -0.128984D+02 -0.970806D+01
      5  -0.356258D+01  0.132552D+02 -0.919331D+01  0.133597D+02  0.120652D+02
      6   0.112967D+01  0.149267D+02 -0.964129D+01  0.151082D+02  0.122229D+02
                51            52            53            54            55 
      1   0.622111D+01 -0.167161D+02  0.727358D+01 -0.902837D+01  0.275213D+01
      2   0.641024D+01  0.195596D+02  0.383282D+01  0.482298D+01 -0.278600D+01
      3  -0.126313D+02 -0.284350D+01 -0.111064D+02  0.420538D+01  0.338766D-01
      4   0.198314D+02  0.113255D+02  0.231490D+02 -0.113305D+02  0.345283D+01
      5  -0.212868D+01 -0.140364D+02 -0.467349D+01  0.164409D+01  0.143077D+01
      6  -0.535355D+01 -0.123521D+02 -0.564840D+01  0.233062D+01  0.599294D+01
                56            57            58            59            60 
      1   0.413251D+01  0.111341D+02  0.224998D+01  0.160257D+02  0.322759D+01
      2  -0.618772D+01 -0.198967D+02 -0.109413D+01 -0.239987D+02 -0.134518D+02
      3   0.205522D+01  0.876260D+01 -0.115584D+01  0.797301D+01  0.102242D+02
      4  -0.701284D+01  0.134616D+01 -0.369581D+01 -0.103716D+02 -0.197831D+02
      5  -0.350844D+01 -0.107189D+01 -0.354540D+01 -0.869602D+01 -0.408745D+01
      6  -0.176874D+02  0.348269D+01 -0.172887D+02 -0.190992D+02 -0.119891D+02
                61            62            63            64            65 
      1   0.138501D+02  0.794983D+01  0.106861D+02  0.298396D+01 -0.524030D+01
      2  -0.216272D+02 -0.175136D+02 -0.144095D+02 -0.220303D+01  0.469524D+01
      3   0.777709D+01  0.956375D+01  0.372344D+01 -0.780927D+00  0.545061D+00
      4   0.246353D+01 -0.234210D+02  0.135979D+01  0.718573D+01  0.197061D+01
      5  -0.510171D+00 -0.352754D+01 -0.113841D+01  0.277446D+01 -0.284693D+01
      6   0.406419D+01 -0.180935D+02 -0.101284D+01 -0.660744D+01  0.801665D+01
                66            67            68            69            70 
      1  -0.112661D+01 -0.469462D+01 -0.110899D+02 -0.533564D+01 -0.255012D+01
      2   0.106182D+02  0.912878D+00  0.128012D+02  0.789582D+01  0.101583D+02
      3  -0.949160D+01  0.378174D+01 -0.171128D+01 -0.256018D+01 -0.760817D+01
      4  -0.253156D+01 -0.129577D+01  0.143010D+02  0.119138D+02 -0.302258D+01
      5  -0.243162D+01 -0.202561D+01  0.157117D+01  0.286403D+01 -0.142126D+01
      6   0.505715D-01  0.918791D+01  0.125695D+02  0.741111D+01 -0.164397D+01
                71            72            73            74            75 
      1  -0.282281D+01  0.413862D+00  0.159279D+02 -0.131106D+02  0.118755D+02
      2   0.222312D+01  0.582637D+01 -0.166031D+02  0.932778D+01 -0.115447D+02
      3   0.599690D+00 -0.624023D+01  0.675191D+00  0.378284D+01 -0.330799D+00
      4   0.692251D+01 -0.109679D+01 -0.560658D+01  0.372158D+00 -0.115252D+01
      5   0.156139D+01 -0.510963D+01  0.115291D+02 -0.329003D+01  0.912079D+01
      6   0.402559D+01 -0.375499D+01 -0.792369D+01 -0.104760D+01 -0.172156D+01
                76            77            78            79            80 
      1  -0.662176D+01  0.184598D+01  0.134110D+01  0.588179D+01 -0.601843D+00
      2   0.497196D+01 -0.799575D+01  0.872970D+00 -0.632275D+01 -0.192183D+00
      3   0.164980D+01  0.614977D+01 -0.221407D+01  0.440957D+00  0.794026D+00
      4  -0.124463D+00  0.117704D+02  0.175262D+01 -0.142965D+01 -0.144443D+00
      5  -0.224629D+01  0.276794D+01 -0.150112D+01  0.613553D+01  0.239009D+00
      6   0.223201D-01  0.482337D+01  0.416980D+01 -0.515514D+00  0.375675D+01
                81            82            83            84            85 
      1   0.101852D+02 -0.588532D+01 -0.104064D+01 -0.101174D+02 -0.662982D+00
      2   0.372864D+01  0.990199D+01  0.358803D+01  0.730529D+01 -0.192905D+00
      3  -0.139138D+02 -0.401666D+01 -0.254739D+01  0.281216D+01  0.855887D+00
      4   0.136656D+01 -0.109248D+02  0.673079D+01 -0.874032D+01  0.104450D+02
      5  -0.641987D+01 -0.226336D+01 -0.118676D+02  0.363796D+01 -0.111057D+02
      6   0.221938D+01 -0.409722D+01  0.545076D+01 -0.683090D+01  0.450008D+01
                86            87            88            89            90 
      1  -0.709446D+01 -0.509984D+01 -0.930743D+01 -0.548772D+01  0.565136D+01
      2   0.544521D+01 -0.430193D+01  0.500781D+01 -0.746989D+00  0.155036D+01
      3   0.164926D+01  0.940177D+01  0.429961D+01  0.623471D+01 -0.720171D+01
      4  -0.841049D+01  0.985193D+01 -0.362889D+01  0.686256D+01 -0.278897D+01
      5   0.491236D+01 -0.381748D+01  0.264655D+01 -0.120885D+01 -0.759542D+00
      6  -0.351527D+01  0.214087D+01 -0.432713D+01  0.443314D+00  0.583011D+01
                91            92            93            94            95 
      1  -0.846022D+01 -0.143531D+01  0.137695D+02 -0.143819D+01 -0.646661D+00
      2   0.237307D+01  0.232335D+01 -0.174942D+02  0.511989D+01 -0.190053D+00
      3   0.608715D+01 -0.888039D+00  0.372479D+01 -0.368170D+01  0.836714D+00
      4   0.125954D+02 -0.897567D+01  0.806730D+01 -0.129267D+02  0.971239D+01
      5   0.344917D+01  0.133976D+02 -0.918412D+01  0.134842D+02 -0.119921D+02
      6   0.127306D+01 -0.149510D+02  0.957186D+01 -0.151098D+02  0.120602D+02
                96            97            98            99           100 
      1   0.644952D+01  0.166104D+02  0.754879D+01 -0.906603D+01  0.281940D+01
      2   0.618101D+01 -0.195086D+02  0.355358D+01  0.490763D+01 -0.286903D+01
      3  -0.126305D+02  0.289820D+01 -0.111024D+02  0.415840D+01  0.496262D-01
      4  -0.198055D+02  0.115781D+02 -0.230905D+02  0.111951D+02 -0.338790D+01
      5   0.209978D+01 -0.140348D+02  0.459795D+01 -0.165842D+01 -0.142418D+01
      6  -0.527088D+01  0.122496D+02 -0.554232D+01  0.232848D+01  0.583007D+01
               101           102           103           104           105 
      1  -0.408459D+01 -0.111734D+02 -0.219980D+01  0.158649D+02  0.297726D+01
      2   0.612170D+01  0.199949D+02  0.100973D+01 -0.237435D+02 -0.130963D+02
      3  -0.203711D+01 -0.882150D+01  0.119006D+01  0.787869D+01  0.101190D+02
      4  -0.714791D+01  0.111870D+01 -0.376257D+01  0.103404D+02  0.198528D+02
      5  -0.363365D+01 -0.110394D+01 -0.365951D+01  0.873445D+01  0.415506D+01
      6   0.178139D+02 -0.334235D+01  0.173860D+02 -0.188320D+02 -0.120359D+02
               106           107           108           109           110 
      1  -0.139024D+02  0.769110D+01  0.107053D+02  0.297292D+01  0.527145D+01
      2   0.217304D+02 -0.171707D+02 -0.144762D+02 -0.223179D+01 -0.469965D+01
      3  -0.782801D+01  0.947961D+01  0.377092D+01 -0.741134D+00 -0.571800D+00
      4   0.218782D+01  0.235552D+02 -0.115944D+01 -0.715428D+01  0.203300D+01
      5  -0.531191D+00  0.364608D+01  0.116681D+01 -0.275137D+01 -0.281092D+01
      6  -0.388988D+01 -0.181898D+02 -0.108800D+01 -0.652833D+01 -0.810296D+01
               111           112           113           114           115 
      1   0.115700D+01  0.475201D+01 -0.108995D+02 -0.523734D+01  0.258306D+01
      2  -0.106559D+02 -0.957690D+00  0.125856D+02  0.771948D+01 -0.101808D+02
      3   0.949892D+01 -0.379432D+01 -0.168611D+01 -0.248213D+01  0.759778D+01
      4  -0.241679D+01 -0.125306D+01 -0.143611D+02 -0.119595D+02 -0.292835D+01
      5  -0.240008D+01 -0.199422D+01 -0.162404D+01 -0.290576D+01 -0.140344D+01
      6  -0.113162D+00 -0.925880D+01  0.124823D+02  0.743302D+01  0.159269D+01
               116           117           118           119           120 
      1  -0.277595D+01  0.396825D+00  0.323101D+02 -0.259820D+01  0.106320D+02
      2   0.211214D+01  0.588672D+01 -0.184223D+02  0.538031D+01 -0.750880D+01
      3   0.663810D+00 -0.628355D+01 -0.138878D+02 -0.278210D+01 -0.312322D+01
      4  -0.696762D+01  0.103710D+01  0.161992D+02  0.753368D+01  0.338383D+01
      5  -0.159123D+01  0.511346D+01  0.108136D+02 -0.179892D+01  0.943070D+01
      6   0.407467D+01 -0.370333D+01  0.525776D+01 -0.643820D+00  0.523418D+01
               121           122           123           124           125 
      1  -0.813957D+01  0.653369D+01 -0.417580D+01  0.167984D+02 -0.330032D+01
      2   0.739728D+01 -0.572495D+01  0.289427D+01 -0.124419D+02  0.494383D+01
      3   0.742291D+00 -0.808743D+00  0.128153D+01 -0.435642D+01 -0.164351D+01
      4   0.390821D+01 -0.232327D+00  0.394874D+00  0.720020D+01  0.244906D+01
      5  -0.325819D+01  0.258881D+01 -0.231448D+01  0.134854D+02  0.159598D-01
      6  -0.155321D+01  0.747405D+00  0.353823D+00  0.787555D+01  0.194559D+01
               126           127           128           129           130 
      1   0.943891D+01  0.146418D+02  0.689250D+01 -0.385775D+01  0.224494D+01
      2  -0.793533D+01 -0.242623D+00  0.433013D+01 -0.585093D+00  0.101901D+02
      3  -0.150358D+01 -0.143992D+02 -0.112226D+02  0.444284D+01 -0.124351D+02
      4   0.567443D+01  0.284897D+02  0.228505D+02 -0.121427D+02  0.243230D+02
      5   0.128889D+02 -0.112781D+02 -0.903078D+01  0.987283D+01 -0.841563D+01
      6   0.812543D+01 -0.108348D+02 -0.911090D+01  0.818056D+01 -0.112537D+02
               131           132           133           134           135 
      1  -0.639041D+01  0.159329D+01 -0.227550D+01  0.170321D+01 -0.379340D-01
      2   0.234964D+02 -0.727906D+01 -0.260529D+01 -0.761761D+01  0.189845D+01
      3  -0.171060D+02  0.568577D+01  0.488079D+01  0.591440D+01 -0.186051D+01
      4   0.317126D+02 -0.138382D+02 -0.178661D+02 -0.186383D+02  0.168132D+02
      5  -0.111184D+02  0.766505D+01  0.147463D+02  0.119565D+02 -0.152577D+02
      6  -0.168033D+02  0.122626D+02  0.141621D+02  0.164669D+02 -0.177525D+02
               136           137           138           139           140 
      1  -0.561312D+01  0.824805D+01 -0.389506D+01  0.469989D+01 -0.160526D+02
      2   0.853619D+01 -0.147635D+02  0.629534D+01 -0.788486D+01  0.268313D+02
      3  -0.292308D+01  0.651540D+01 -0.240029D+01  0.318497D+01 -0.107787D+02
      4  -0.151808D+02  0.853481D+01 -0.636432D+01  0.645453D+01 -0.483963D+01
      5   0.148458D+01 -0.434959D+00  0.158815D+01 -0.453425D+00  0.824852D+00
      6  -0.782558D+01  0.667511D+01 -0.742897D+01  0.445919D+01 -0.741097D+01
               141           142           143           144           145 
      1   0.465799D+01 -0.638577D+01  0.938757D+01 -0.880805D+01 -0.178896D+01
      2  -0.650439D+01  0.691358D+01 -0.133846D+02  0.974770D+01  0.808920D+01
      3   0.184640D+01 -0.527810D+00  0.399703D+01 -0.939648D+00 -0.630024D+01
      4   0.367804D+01 -0.860292D+01  0.574772D+01 -0.504338D+01  0.119593D+02
      5   0.372952D+00  0.179818D+01  0.617621D+00 -0.237008D+00  0.332381D+01
      6   0.822143D+01 -0.711170D+01  0.143173D+02 -0.159953D+02  0.548375D+01
               146           147           148           149           150 
      1  -0.237680D+01 -0.166320D+01 -0.379560D+01 -0.316196D+02 -0.109067D+02
      2   0.107303D+02  0.442761D+01  0.107097D+02  0.586501D+02  0.179039D+02
      3  -0.835353D+01 -0.276441D+01 -0.691408D+01 -0.270304D+02 -0.699721D+01
      4   0.182305D+02  0.623816D+01  0.130606D+02  0.247812D+02  0.907422D+01
      5   0.515318D+01  0.445789D+01  0.311548D+01  0.860542D+01  0.489513D+01
      6   0.765702D+01  0.439100D+01  0.701984D+01  0.258427D+02  0.164991D+02
               151           152           153           154           155 
      1  -0.297261D+01 -0.166798D+02 -0.125104D+02 -0.569621D+01 -0.830356D+01
      2   0.578656D+01  0.249475D+02  0.151378D+02  0.860495D+01  0.148208D+02
      3  -0.281395D+01 -0.826763D+01 -0.262743D+01 -0.290875D+01 -0.651724D+01
      4   0.667787D+01  0.143188D+02  0.872070D+01  0.150715D+02  0.851516D+01
      5   0.442733D+01  0.787362D+01  0.699313D+01 -0.143292D+01 -0.404909D+00
      6   0.579720D+01  0.256543D+02  0.203378D+02 -0.776124D+01 -0.666579D+01
               156           157           158           159           160 
      1   0.391696D+01 -0.473658D+01 -0.162151D+02  0.471816D+01  0.640787D+01
      2  -0.631827D+01  0.791556D+01  0.271080D+02 -0.660486D+01 -0.693682D+01
      3   0.240131D+01 -0.317898D+01 -0.108929D+02  0.188669D+01  0.528942D+00
      4  -0.629042D+01  0.646013D+01  0.477400D+01 -0.364969D+01 -0.850547D+01
      5   0.155021D+01 -0.436801D+00 -0.794948D+00 -0.401149D+00  0.176399D+01
      6   0.737190D+01 -0.445539D+01 -0.749543D+01  0.825842D+01  0.703532D+01
               161           162           163           164           165 
      1   0.947579D+01 -0.883410D+01 -0.171450D+01  0.235845D+01  0.166766D+01
      2  -0.135143D+02  0.981372D+01  0.806278D+01 -0.107792D+02 -0.446520D+01
      3   0.403848D+01 -0.979620D+00 -0.634829D+01  0.842074D+01  0.279755D+01
      4  -0.569119D+01  0.494971D+01 -0.121380D+02  0.183341D+02  0.632707D+01
      5  -0.673268D+00  0.302396D+00 -0.340219D+01  0.522879D+01  0.452210D+01
      6   0.143514D+02 -0.159505D+02  0.555507D+01 -0.775639D+01 -0.447933D+01
               166           167           168           169           170 
      1   0.379775D+01 -0.312922D+02 -0.108325D+02  0.299174D+01 -0.165767D+02
      2  -0.107655D+02  0.581232D+02  0.178045D+02 -0.583625D+01  0.248117D+02
      3   0.696775D+01 -0.268310D+02 -0.697200D+01  0.284451D+01 -0.823493D+01
      4   0.131546D+02 -0.249385D+02 -0.918160D+01  0.679973D+01 -0.144875D+02
      5   0.317736D+01 -0.868851D+01 -0.495553D+01  0.450579D+01 -0.798738D+01
      6  -0.711259D+01  0.257755D+02  0.164923D+02 -0.592410D+01  0.256587D+02
               171           172           173           174           175 
      1  -0.124723D+02  0.324118D+02  0.268158D+01 -0.106254D+02  0.824066D+01
      2   0.150668D+02 -0.185207D+02 -0.540371D+01  0.751979D+01 -0.744007D+01
      3  -0.259451D+01 -0.138911D+02  0.272213D+01  0.310559D+01 -0.800589D+00
      4  -0.887349D+01 -0.160222D+02  0.749898D+01  0.329508D+01  0.390960D+01
      5  -0.712043D+01 -0.107911D+02 -0.185185D+01  0.941854D+01 -0.330281D+01
      6   0.204230D+02  0.519412D+01  0.661120D+00 -0.517934D+01  0.156740D+01
               176           177           178           179           180 
      1   0.660683D+01 -0.421747D+01 -0.168110D+02 -0.336752D+01  0.946612D+01
      2  -0.580512D+01  0.292078D+01  0.124704D+02  0.498095D+01 -0.797176D+01
      3  -0.801713D+00  0.129669D+01  0.434061D+01 -0.161344D+01 -0.149437D+01
      4   0.354863D+00 -0.407096D+00  0.704582D+01 -0.243726D+01 -0.557219D+01
      5  -0.262142D+01  0.235814D+01  0.134871D+02  0.557352D-01 -0.128852D+02
      6   0.735829D+00  0.334879D+00 -0.780658D+01  0.190303D+01  0.804795D+01
               181           182           183           184           185 
      1   0.149009D+02 -0.698442D+01  0.394022D+01 -0.234360D+01 -0.619400D+01
      2  -0.384874D+00 -0.427503D+01  0.531130D+00 -0.101235D+02  0.232561D+02
      3  -0.145160D+02  0.112595D+02 -0.447135D+01  0.124671D+02 -0.170621D+02
      4  -0.286434D+02  0.228918D+02 -0.121859D+02  0.243858D+02 -0.316908D+02
      5   0.113758D+02 -0.906605D+01  0.991785D+01 -0.845049D+01  0.111027D+02
      6  -0.108691D+02  0.910238D+01 -0.818110D+01  0.112354D+02 -0.166755D+02
               186           187           188           189           190 
      1   0.150079D+01  0.239074D+01  0.156741D+01  0.806971D-01  0.193223D+02
      2  -0.717175D+01  0.250970D+01 -0.746475D+01  0.178788D+01 -0.156935D+02
      3   0.567096D+01 -0.490043D+01  0.589735D+01 -0.186858D+01 -0.362880D+01
      4   0.138132D+02 -0.179120D+02  0.185865D+02 -0.167951D+02  0.151727D+01
      5  -0.766519D+01  0.148121D+02 -0.119454D+02  0.152893D+02  0.145767D+02
      6   0.121912D+02 -0.141418D+02  0.163533D+02 -0.176625D+02  0.792350D+00
               191           192           193           194           195 
      1   0.495266D+01  0.704935D+01  0.745173D+01  0.541162D+01  0.356702D+01
      2  -0.658187D+01 -0.865812D+01 -0.822830D+01 -0.592395D+01 -0.571432D+01
      3   0.162921D+01  0.160876D+01  0.776572D+00  0.512334D+00  0.214729D+01
      4   0.576381D+01  0.175928D+01  0.788695D+00  0.753473D+01  0.281571D+00
      5   0.458155D+01  0.990343D+01  0.105878D+02  0.261827D+01  0.716972D+01
      6   0.137852D+01 -0.326275D+00  0.710036D+00  0.288059D+01  0.166083D+00
               196           197           198           199           200 
      1   0.336278D+01  0.131484D+01  0.189456D+01 -0.281707D+01 -0.214264D+01
      2  -0.663645D+01 -0.205527D+01 -0.750424D+01 -0.131952D+01  0.119586D+01
      3   0.327367D+01  0.740425D+00  0.560967D+01  0.413659D+01  0.946781D+00
      4   0.327606D+01 -0.833693D-01  0.220964D+01  0.609484D+01 -0.292283D+01
      5   0.738080D+01  0.375464D+01  0.826433D+01 -0.237192D+01  0.234886D+01
      6   0.487767D+00  0.130385D+01 -0.556545D+00  0.992382D-01 -0.310437D+01
               201           202           203           204           205 
      1   0.664464D+01 -0.494222D+00 -0.470979D+01  0.600277D+01  0.266328D+01
      2   0.875028D+00 -0.523007D+00  0.201770D+01 -0.976043D+00 -0.142479D+01
      3  -0.751967D+01  0.101723D+01  0.269209D+01 -0.502672D+01 -0.123849D+01
      4   0.614554D+00  0.131142D+01 -0.167874D+01  0.389935D+00 -0.266746D+01
      5  -0.423413D+00  0.535450D+00  0.904169D+00 -0.160110D+01  0.403761D+01
      6   0.544253D+01 -0.664728D+00 -0.582141D+01  0.817954D+01 -0.110824D+00
               206           207           208           209           210 
      1   0.523207D+01 -0.170818D+02 -0.565257D-02 -0.727553D+01 -0.420827D+01
      2  -0.158776D+00 -0.108305D+02 -0.243186D+00  0.918124D+01  0.186777D+01
      3  -0.507329D+01  0.279123D+02  0.248839D+00 -0.190570D+01  0.234050D+01
      4   0.259275D+01  0.581780D+00  0.166967D+02  0.685794D+01  0.745746D+01
      5  -0.202744D+01  0.106774D+02  0.882399D+01  0.512621D+01  0.522333D+01
      6   0.695374D+01 -0.164483D+02  0.891154D+01  0.106691D+02  0.953627D+01
               211           212           213           214           215 
      1  -0.215397D+01 -0.245880D+01 -0.139363D+01 -0.173985D+01 -0.849923D+00
      2   0.294572D+01  0.604148D+01  0.956021D+00 -0.475119D+00 -0.179348D+01
      3  -0.791742D+00 -0.358268D+01  0.437608D+00  0.221497D+01  0.264340D+01
      4   0.743633D+01  0.763715D+01  0.465670D+01  0.424846D+01  0.425892D+01
      5   0.288741D+01  0.291452D+01  0.236235D+01  0.441034D+01  0.209643D+01
      6   0.526669D+01  0.424631D+01  0.479900D+01  0.533642D+01  0.444567D+01
               216           217           218           219           220 
      1  -0.364812D+01 -0.570825D+00  0.313919D+01  0.220796D+01  0.158674D+00
      2  -0.197301D+01 -0.333163D+01 -0.422868D+01  0.577820D+01 -0.126624D+01
      3   0.562113D+01  0.390245D+01  0.108949D+01 -0.798616D+01  0.110757D+01
      4   0.518167D+01 -0.349248D+01  0.405802D+01  0.432786D+01  0.381964D+00
      5   0.352893D+01 -0.479574D+01  0.178724D+01  0.785829D+01  0.524112D+00
      6   0.789647D+01  0.439469D+01 -0.287873D+01 -0.656125D+01 -0.246640D-02
               221           222           223           224           225 
      1   0.305134D+01  0.165055D+01  0.156342D+01 -0.428114D+01 -0.113265D+02
      2  -0.605468D+01  0.194943D+01  0.355842D+01  0.273661D+01 -0.153780D+02
      3   0.300334D+01 -0.359998D+01 -0.512185D+01  0.154453D+01  0.267044D+02
      4   0.185832D+01  0.783109D+00  0.344411D+01 -0.158304D+01 -0.252115D+01
      5  -0.132786D+01  0.731329D+00  0.541620D+01 -0.953004D+00 -0.931364D+01
      6  -0.223378D+01  0.469888D+00 -0.306454D+01  0.587927D+01  0.177820D+02
               226           227           228           229           230 
      1  -0.103802D+01 -0.322889D+00 -0.154362D+01 -0.513570D+01 -0.109321D+02
      2   0.466284D+01 -0.229500D+01  0.194738D+01  0.117154D+01  0.200010D+02
      3  -0.362481D+01  0.261789D+01 -0.403768D+00  0.396416D+01 -0.906894D+01
      4  -0.280661D+01  0.515825D+01  0.436702D+00  0.768147D+01 -0.202653D+02
      5  -0.194392D+01 -0.190683D+00 -0.470990D+00 -0.445322D+01  0.272259D+01
      6   0.593712D+00  0.328155D+00 -0.151931D+00  0.329262D+01 -0.117327D+02
               231           232           233           234           235 
      1   0.157959D+01 -0.557439D+01  0.226867D+01 -0.423226D+01 -0.311644D+01
      2  -0.221714D+00  0.395202D+01  0.646592D+00  0.240526D+01  0.341933D+00
      3  -0.135788D+01  0.162237D+01 -0.291526D+01  0.182701D+01  0.277451D+01
      4   0.378361D+01  0.184580D+01 -0.209569D+01 -0.189826D+01  0.125397D+01
      5  -0.431598D+01 -0.172461D+01 -0.176126D+01 -0.184025D+00 -0.243397D+00
      6   0.502073D+01  0.214217D+00  0.246110D+01 -0.181932D+01  0.153045D+01
               236           237           238           239           240 
      1   0.118019D+01  0.309443D+01  0.400344D+01 -0.342757D+01  0.119720D+01
      2  -0.170990D+01  0.121868D+01 -0.390543D+01  0.666491D+00 -0.328413D+01
      3   0.529707D+00 -0.431311D+01 -0.980132D-01  0.276108D+01  0.208693D+01
      4  -0.658040D+00  0.273601D+00  0.604312D+00 -0.859016D+00  0.222040D+01
      5   0.147424D+01  0.150917D+01  0.205931D+01  0.147676D+01  0.171181D+01
      6  -0.629171D+00  0.175656D+01 -0.124087D-01 -0.192835D+01  0.432267D+01
               241           242           243           244           245 
      1   0.370042D+01  0.350460D+01 -0.195185D+02  0.728221D-01  0.724242D+01
      2  -0.522764D+01  0.604235D+00 -0.152890D+02 -0.315942D+00 -0.916375D+01
      3   0.152722D+01 -0.410884D+01  0.348075D+02  0.243120D+00  0.192134D+01
      4  -0.154635D+01  0.332480D+01 -0.239931D+01 -0.167565D+02  0.688916D+01
      5   0.650063D+01 -0.346004D+01  0.203517D+02 -0.888363D+01  0.514762D+01
      6  -0.127048D+01  0.513056D+01 -0.948770D+01  0.895383D+01 -0.106430D+02
               246           247           248           249           250 
      1   0.417071D+01  0.211388D+01 -0.238062D+01 -0.135256D+01  0.172277D+01
      2  -0.182458D+01 -0.291709D+01  0.594564D+01  0.916561D+00  0.505616D+00
      3  -0.234613D+01  0.803209D+00 -0.356501D+01  0.435996D+00 -0.222838D+01
      4   0.750932D+01  0.741841D+01 -0.762163D+01 -0.464367D+01  0.427998D+01
      5   0.527775D+01  0.288731D+01 -0.289906D+01 -0.235648D+01  0.444472D+01
      6  -0.954662D+01 -0.524358D+01  0.418538D+01  0.477133D+01 -0.534555D+01
               251           252           253           254           255 
      1  -0.827313D+00 -0.362651D+01 -0.581307D+00 -0.318802D+01 -0.224743D+01
      2  -0.181752D+01 -0.200212D+01 -0.333394D+01  0.426710D+01 -0.576044D+01
      3   0.264483D+01  0.562863D+01  0.391525D+01 -0.107908D+01  0.800787D+01
      4  -0.424393D+01 -0.519188D+01  0.350007D+01  0.405878D+01  0.436333D+01
      5  -0.209817D+01 -0.356164D+01  0.479041D+01  0.179877D+01  0.785546D+01
      6   0.444247D+01  0.791129D+01  0.441970D+01  0.292069D+01  0.661732D+01
               256           257           258           259           260 
      1  -0.177657D+00  0.305628D+01  0.163613D+01 -0.157666D+01 -0.431231D+01
      2   0.128193D+01 -0.604596D+01  0.191198D+01 -0.355531D+01  0.272634D+01
      3  -0.110428D+01  0.298968D+01 -0.354811D+01  0.513197D+01  0.158598D+01
      4   0.401185D+00 -0.179959D+01 -0.765260D+00  0.346202D+01  0.158044D+01
      5   0.536796D+00  0.134552D+01 -0.699783D+00  0.541129D+01  0.963718D+00
      6   0.318144D-01 -0.220138D+01  0.505280D+00  0.308277D+01  0.591931D+01
               261           262           263           264           265 
      1  -0.113451D+02  0.194534D+02 -0.497837D+01 -0.706502D+01 -0.745204D+01
      2  -0.153285D+02 -0.157714D+02  0.659953D+01  0.865534D+01  0.820739D+01
      3   0.266736D+02 -0.368196D+01 -0.162116D+01 -0.159031D+01 -0.755353D+00
      4   0.256319D+01 -0.144903D+01  0.576791D+01  0.170883D+01  0.761466D+00
      5   0.927517D+01 -0.146024D+02  0.454343D+01  0.988209D+01  0.105446D+02
      6   0.178542D+02  0.763830D+00 -0.137638D+01  0.354298D+00 -0.688636D+00
               266           267           268           269           270 
      1   0.542958D+01  0.354877D+01 -0.336376D+01  0.130010D+01  0.190971D+01
      2  -0.589979D+01 -0.566233D+01  0.661703D+01 -0.200925D+01 -0.746138D+01
      3   0.470214D+00  0.211356D+01 -0.325327D+01  0.709148D+00  0.555167D+01
      4  -0.749984D+01 -0.227420D+00  0.325773D+01  0.127605D+00 -0.217808D+01
      5  -0.254978D+01 -0.710946D+01  0.734209D+01 -0.372327D+01 -0.819097D+01
      6   0.286735D+01  0.128523D+00 -0.472838D+00  0.127756D+01 -0.566860D+00
               271           272           273           274           275 
      1  -0.276951D+01  0.213419D+01 -0.664053D+01  0.471828D+00 -0.468002D+01
      2  -0.136964D+01 -0.121697D+01 -0.872952D+00  0.524936D+00  0.199794D+01
      3   0.413915D+01 -0.917221D+00  0.751348D+01 -0.996764D+00  0.268209D+01
      4  -0.608239D+01 -0.293296D+01  0.600317D+00  0.128370D+01  0.165235D+01
      5   0.234883D+01  0.235169D+01 -0.408325D+00  0.548013D+00 -0.884668D+00
      6   0.109486D+00  0.310352D+01 -0.543226D+01  0.670194D+00 -0.577266D+01
               276           277           278           279           280 
      1   0.594267D+01 -0.264771D+01  0.520387D+01 -0.170802D+02  0.643972D+01
      2  -0.978032D+00  0.142258D+01 -0.170897D+00 -0.109095D+02 -0.341567D+01
      3  -0.496463D+01  0.122513D+01 -0.503297D+01  0.279897D+02 -0.302404D+01
      4  -0.379501D+00 -0.268344D+01 -0.260898D+01 -0.595306D+00  0.541770D+01
      5   0.157058D+01  0.405079D+01  0.202471D+01 -0.107046D+02  0.812123D+01
      6   0.812698D+01  0.130585D+00  0.693277D+01 -0.164558D+02  0.247611D+01
               281           282           283           284           285 
      1   0.433281D+01  0.677625D+01  0.773644D+01 -0.667555D+00 -0.229826D+01
      2  -0.177132D+01 -0.369823D+01 -0.386178D+01  0.385062D+01 -0.181896D+00
      3  -0.256150D+01 -0.307802D+01 -0.387466D+01 -0.318307D+01  0.248015D+01
      4   0.525363D+01  0.199263D+01  0.116587D+02  0.247817D+02  0.122798D+02
      5   0.271500D+01  0.505511D+01  0.602050D+01  0.130171D+02  0.140395D+02
      6   0.880254D+00  0.767805D+00  0.423342D+01  0.121028D+02  0.820112D+01
               286           287           288           289           290 
      1   0.771578D+01 -0.217518D+01 -0.101695D+01  0.639608D+02 -0.161203D+02
      2  -0.581897D+01 -0.902904D+00 -0.372701D+01 -0.349910D+02  0.777848D+01
      3  -0.189681D+01  0.307808D+01  0.474396D+01 -0.289698D+02  0.834184D+01
      4   0.340457D+01  0.854443D+01  0.922544D+01 -0.213062D+02  0.131428D+02
      5   0.851346D+01  0.967040D+01  0.135718D+02  0.268551D+02 -0.724937D+01
      6   0.218312D+01  0.736899D+01  0.709158D+01 -0.472176D+01  0.300041D+01
               291           292           293           294           295 
      1   0.164378D+02 -0.246811D+02  0.127837D+02 -0.650628D+01  0.147781D+02
      2  -0.105896D+02  0.121019D+02 -0.526575D+01  0.441549D+01 -0.115808D+02
      3  -0.584821D+01  0.125792D+02 -0.751791D+01  0.209078D+01 -0.319731D+01
      4  -0.623677D+01  0.205001D+02 -0.137923D+02  0.899831D+01 -0.591563D+01
      5   0.166383D+02 -0.119098D+02  0.100330D+02 -0.749042D+01  0.209005D+02
      6  -0.195815D+01  0.560795D+01 -0.362852D+01  0.443698D+01 -0.319268D+01
               296           297           298           299           300 
      1  -0.367254D+01  0.117648D+02  0.636965D+02  0.162445D+02 -0.163149D+02
      2   0.330981D+01 -0.957836D+01 -0.347388D+02 -0.779324D+01  0.104772D+02
      3   0.362732D+00 -0.218641D+01 -0.289576D+02 -0.845123D+01  0.583761D+01
      4   0.578875D+01 -0.578261D+01  0.215901D+02  0.132877D+02 -0.627607D+01
      5  -0.610847D+01  0.129716D+02 -0.266570D+02 -0.726708D+01  0.165326D+02
      6   0.373414D+01 -0.284841D+01 -0.476915D+01 -0.302185D+01  0.199022D+01
               301           302           303           304           305 
      1   0.247851D+02  0.128801D+02 -0.648313D+01 -0.146480D+02 -0.366217D+01
      2  -0.120749D+02 -0.524122D+01  0.437235D+01  0.114562D+02  0.329112D+01
      3  -0.127102D+02 -0.763887D+01  0.211078D+01  0.319176D+01  0.371056D+00
      4   0.207182D+02  0.140292D+02 -0.904764D+01 -0.596190D+01 -0.582535D+01
      5  -0.119124D+02 -0.100719D+02  0.752150D+01  0.207842D+02  0.615388D+01
      6  -0.564445D+01 -0.369015D+01  0.445670D+01  0.324451D+01  0.376140D+01
               306           307           308           309           310 
      1   0.116879D+02  0.655888D+01 -0.436261D+01 -0.678217D+01 -0.783592D+01
      2  -0.948492D+01 -0.347662D+01  0.179494D+01  0.371407D+01  0.393359D+01
      3  -0.220302D+01 -0.308227D+01  0.256767D+01  0.306810D+01  0.390233D+01
      4   0.584990D+01 -0.546969D+01  0.534647D+01  0.202860D+01  0.117531D+02
      5  -0.128622D+02 -0.817305D+01  0.276906D+01  0.512832D+01  0.608452D+01
      6  -0.288262D+01  0.247079D+01 -0.921564D+00 -0.799476D+00 -0.426307D+01
               311           312           313           314           315 
      1  -0.455741D+00 -0.218586D+01 -0.774266D+01 -0.209528D+01 -0.920223D+00
      2   0.366237D+01 -0.270929D+00  0.584739D+01 -0.961591D+00 -0.379070D+01
      3  -0.320663D+01  0.245679D+01  0.189527D+01  0.305687D+01  0.471093D+01
      4  -0.247818D+02 -0.122914D+02  0.341715D+01 -0.855565D+01 -0.923011D+01
      5  -0.130421D+02 -0.140649D+02  0.856872D+01 -0.968408D+01 -0.135972D+02
      6   0.120129D+02  0.812873D+01 -0.220088D+01  0.732082D+01  0.703026D+01
               316           317           318           319           320 
      1  -0.307191D+01 -0.118543D+01 -0.308234D+01 -0.402692D+01 -0.344426D+01
      2   0.305193D+00  0.170260D+01 -0.119786D+01  0.392940D+01  0.686414D+00
      3   0.276672D+01 -0.517178D+00  0.428020D+01  0.975264D-01  0.275785D+01
      4  -0.126769D+01 -0.674045D+00  0.273703D+00  0.565591D+00  0.829407D+00
      5   0.214212D+00  0.147553D+01  0.153935D+01  0.208202D+01 -0.145708D+01
      6   0.153840D+01  0.635143D+00 -0.175075D+01  0.311336D-01 -0.190549D+01
               321           322           323           324           325 
      1   0.116575D+01 -0.368881D+01  0.347364D+01 -0.195131D+02 -0.109380D+01
      2  -0.332142D+01  0.523121D+01  0.590469D+00 -0.153144D+02  0.469162D+01
      3   0.215567D+01 -0.154241D+01 -0.406411D+01  0.348276D+02 -0.359782D+01
      4  -0.220509D+01 -0.156452D+01 -0.332085D+01  0.236729D+01  0.274054D+01
      5  -0.176380D+01  0.650997D+01  0.344562D+01 -0.203818D+02  0.195140D+01
      6   0.429574D+01  0.128063D+01  0.512485D+01 -0.949655D+01  0.600014D+00
               326           327           328           329           330 
      1   0.337971D+00  0.153345D+01  0.513428D+01 -0.110844D+02  0.163062D+01
      2   0.224484D+01 -0.194649D+01 -0.119298D+01  0.201439D+02 -0.278939D+00
      3  -0.258281D+01  0.413039D+00 -0.394129D+01 -0.905949D+01 -0.135169D+01
      4   0.507711D+01  0.452458D+00  0.764657D+01  0.202076D+02 -0.380993D+01
      5  -0.180295D+00 -0.476807D+00 -0.444258D+01 -0.273457D+01  0.430676D+01
      6  -0.286034D+00  0.134411D+00 -0.327514D+01 -0.118054D+02  0.506579D+01
               331           332           333 
      1   0.554728D+01  0.228590D+01 -0.424905D+01
      2  -0.394067D+01  0.627855D+00  0.240759D+01
      3  -0.160662D+01 -0.291376D+01  0.184146D+01
      4   0.185971D+01  0.206987D+01  0.188014D+01
      5  -0.171178D+01  0.174987D+01  0.162841D+00
      6  -0.222060D+00  0.248712D+01 -0.183911D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.890861D-02      0.226434D-01      0.755303D-01
   y         -0.800529D-04     -0.203474D-03     -0.678716D-03
   z          0.100325D-03      0.255002D-03      0.850594D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.150517D+03      0.223043D+02      0.248169D+02
   yx        -0.754235D-03     -0.111766D-03     -0.124356D-03
   yy         0.149050D+03      0.220869D+02      0.245749D+02
   zx        -0.156812D-02     -0.232371D-03     -0.258547D-03
   zy         0.598749D-01      0.887254D-02      0.987204D-02
   zz         0.118804D+03      0.176049D+02      0.195881D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142145D+03      0.210636D+02      0.234365D+02
   aniso      0.311762D+02      0.461983D+01      0.514026D+01
   xx         0.153259D+03      0.227106D+02      0.252690D+02
   yx        -0.154817D-02     -0.229415D-03     -0.255258D-03
   yy         0.151797D+03      0.224940D+02      0.250280D+02
   zx        -0.163560D-02     -0.242371D-03     -0.269674D-03
   zy         0.655795D-01      0.971788D-02      0.108126D-01
   zz         0.121378D+03      0.179863D+02      0.200125D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.35877401          0.08788376         -5.46357659
     6         -1.47772948         -0.20504003         -5.43126830
     7         -2.22504686         -1.46968958         -2.99423412
    45         -0.00105609          0.00023177          0.00035199
     7          2.20894566          1.85361184          2.78749118
     6          0.79117946          4.11834554          3.76473204
     6         -0.51397037          5.38451931          1.56710704
     7         -2.06317300          3.43142715          0.19865746
     7          2.15504566          1.40731295         -3.07171072
     7         -2.14754557         -1.79726140          2.87209759
     6         -0.70366314         -4.03716438          3.86818416
     6          0.55530996         -5.35005810          1.67094759
     7          2.06794465         -3.42522795          0.22379728
     1         -0.56962142          3.46273310          5.16672248
     1          2.07807240          5.41565759          4.71751425
     1          0.85420626          6.16372377          0.23694819
     1         -1.71000739          6.93822435          2.20158996
     1         -0.84015191         -6.16267229          0.39010479
     1          1.76970047         -6.88606436          2.31358653
     1          0.68620151         -3.34809181          5.22484570
     1         -1.96639072         -5.31486827          4.87808581
     1         -2.63270866         -0.66650490          4.35461399
     1         -3.83078621         -2.41895327          2.16705436
     1          2.58068600         -4.17877258         -1.47373911
     1          3.73901844         -3.13819974          1.14137995
     1          1.90604036          3.30388580         -3.30529757
     1          4.05778902          1.19081705         -2.85282106
     1         -2.61559017          4.14870027         -1.50213843
     1         -3.71200974          3.16656617          1.16195061
     1          2.72192455          0.75388310          4.28384604
     1          3.87879014          2.45546235          2.03487456
     1          2.30263937         -1.74285178         -5.52284904
     1          1.98195758          1.15296126         -7.11404937
     1         -2.13438159         -1.30725914         -7.04394006
     1         -2.42298038          1.62414666         -5.51292244
     1         -4.12217698         -1.24341948         -2.73943298
     1         -1.98530439         -3.37165720         -3.19119244

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.890953D-02      0.226458D-01      0.755381D-01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.118809D+03      0.176058D+02      0.195890D+02
   yx         0.212024D+00      0.314186D-01      0.349580D-01
   yy         0.149048D+03      0.220867D+02      0.245747D+02
   zx         0.359287D+00      0.532409D-01      0.592385D-01
   zy         0.987699D-02      0.146362D-02      0.162849D-02
   zz         0.150513D+03      0.223037D+02      0.248162D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142145D+03      0.210636D+02      0.234365D+02
   aniso      0.311762D+02      0.461983D+01      0.514026D+01
   xx         0.121383D+03      0.179871D+02      0.200134D+02
   yx         0.207875D+00      0.308039D-01      0.342739D-01
   yy         0.151796D+03      0.224938D+02      0.250278D+02
   zx         0.361292D+00      0.535379D-01      0.595690D-01
   zy         0.907607D-02      0.134493D-02      0.149644D-02
   zz         0.153255D+03      0.227100D+02      0.252683D+02

 ----------------------------------------------------------------------
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 It is also a good rule not to put too much confidence in
 experimental results until they have been confirmed by
 Theory.
                             -- Sir Arthur Eddington
 Job cpu time:       1 days  1 hours 58 minutes 29.0 seconds.
 Elapsed time:       0 days  1 hours 37 minutes 33.8 seconds.
 File lengths (MBytes):  RWF=    642 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 19:07:41 2021.
